2026-02-10T11:37:21,074 Created temporary directory: /tmp/pip-ephem-wheel-cache-ia_kx0oj 2026-02-10T11:37:21,076 Created temporary directory: /tmp/pip-build-tracker-d4yyymx_ 2026-02-10T11:37:21,077 Initialized build tracking at /tmp/pip-build-tracker-d4yyymx_ 2026-02-10T11:37:21,077 Created build tracker: /tmp/pip-build-tracker-d4yyymx_ 2026-02-10T11:37:21,078 Entered build tracker: /tmp/pip-build-tracker-d4yyymx_ 2026-02-10T11:37:21,078 Created temporary directory: /tmp/pip-wheel-9uepxmn1 2026-02-10T11:37:21,081 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 2026-02-10T11:37:21,084 Created temporary directory: /tmp/pip-ephem-wheel-cache-b6mf9dsh 2026-02-10T11:37:21,105 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-02-10T11:37:21,109 2 location(s) to search for versions of xcbm: 2026-02-10T11:37:21,109 * https://pypi.org/simple/xcbm/ 2026-02-10T11:37:21,109 * https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:21,109 Fetching project page and analyzing links: https://pypi.org/simple/xcbm/ 2026-02-10T11:37:21,110 Getting page https://pypi.org/simple/xcbm/ 2026-02-10T11:37:21,112 Found index url https://pypi.org/simple 2026-02-10T11:37:21,329 Fetched page https://pypi.org/simple/xcbm/ as application/vnd.pypi.simple.v1+json 2026-02-10T11:37:21,333 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) 2026-02-10T11:37:21,334 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 2026-02-10T11:37:21,335 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) 2026-02-10T11:37:21,336 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 2026-02-10T11:37:21,336 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) 2026-02-10T11:37:21,337 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 2026-02-10T11:37:21,338 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) 2026-02-10T11:37:21,339 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 2026-02-10T11:37:21,340 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) 2026-02-10T11:37:21,341 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 2026-02-10T11:37:21,342 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) 2026-02-10T11:37:21,343 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 2026-02-10T11:37:21,343 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) 2026-02-10T11:37:21,344 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 2026-02-10T11:37:21,345 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) 2026-02-10T11:37:21,346 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 2026-02-10T11:37:21,346 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) 2026-02-10T11:37:21,347 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 2026-02-10T11:37:21,348 Fetching project page and analyzing links: https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:21,349 Getting page https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:21,350 Found index url https://www.piwheels.org/simple 2026-02-10T11:37:21,509 Fetched page https://www.piwheels.org/simple/xcbm/ as text/html 2026-02-10T11:37:21,512 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) 2026-02-10T11:37:21,513 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) 2026-02-10T11:37:21,514 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) 2026-02-10T11:37:21,514 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) 2026-02-10T11:37:21,515 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) 2026-02-10T11:37:21,515 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) 2026-02-10T11:37:21,516 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) 2026-02-10T11:37:21,517 Skipping link: not a file: https://www.piwheels.org/simple/xcbm/ 2026-02-10T11:37:21,518 Skipping link: not a file: https://pypi.org/simple/xcbm/ 2026-02-10T11:37:21,537 Given no hashes to check 1 links for project 'xcbm': discarding no candidates 2026-02-10T11:37:21,555 Collecting xcbm==0.1.8 2026-02-10T11:37:21,557 Created temporary directory: /tmp/pip-unpack-iakvxokc 2026-02-10T11:37:21,790 Downloading xcbm-0.1.8.tar.gz (4.1 MB) 2026-02-10T11:37:57,249 Added xcbm==0.1.8 from https://files.pythonhosted.org/packages/72/88/1a33887cecdb5a2cef0ce35dc7b7698f48504e4f249fe4d09fd86e332059/xcbm-0.1.8.tar.gz to build tracker '/tmp/pip-build-tracker-d4yyymx_' 2026-02-10T11:37:57,253 Created temporary directory: /tmp/pip-build-env-a9scvj0a 2026-02-10T11:37:57,258 Installing build dependencies: started 2026-02-10T11:37:57,259 Running command pip subprocess to install build dependencies 2026-02-10T11:37:58,494 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-02-10T11:37:59,066 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 2026-02-10T11:37:59,092 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-02-10T11:38:00,876 Collecting setuptools>=40.8.0 2026-02-10T11:38:00,896 Using cached setuptools-82.0.0-py3-none-any.whl (1.0 MB) 2026-02-10T11:38:01,159 Collecting wheel 2026-02-10T11:38:01,172 Using cached https://www.piwheels.org/simple/wheel/wheel-0.46.3-py3-none-any.whl (30 kB) 2026-02-10T11:38:01,354 Collecting packaging>=24.0 2026-02-10T11:38:01,369 Using cached https://www.piwheels.org/simple/packaging/packaging-26.0-py3-none-any.whl (74 kB) 2026-02-10T11:38:04,355 Installing collected packages: setuptools, packaging, wheel 2026-02-10T11:38:07,646 Creating /tmp/pip-build-env-a9scvj0a/overlay/local/bin 2026-02-10T11:38:07,648 changing mode of /tmp/pip-build-env-a9scvj0a/overlay/local/bin/wheel to 755 2026-02-10T11:38:07,669 Successfully installed packaging-26.0 setuptools-82.0.0 wheel-0.46.3 2026-02-10T11:38:07,945 Installing build dependencies: finished with status 'done' 2026-02-10T11:38:07,952 Getting requirements to build wheel: started 2026-02-10T11:38:07,953 Running command Getting requirements to build wheel 2026-02-10T11:38:14,171 running egg_info 2026-02-10T11:38:14,181 writing xcbm.egg-info/PKG-INFO 2026-02-10T11:38:14,192 writing dependency_links to xcbm.egg-info/dependency_links.txt 2026-02-10T11:38:14,210 writing top-level names to xcbm.egg-info/top_level.txt 2026-02-10T11:38:50,459 reading manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:38:51,396 adding license file 'LICENSE' 2026-02-10T11:38:52,420 writing manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:38:52,552 Getting requirements to build wheel: finished with status 'done' 2026-02-10T11:38:52,556 Created temporary directory: /tmp/pip-modern-metadata-u_lzg_y_ 2026-02-10T11:38:52,558 Preparing metadata (pyproject.toml): started 2026-02-10T11:38:52,559 Running command Preparing metadata (pyproject.toml) 2026-02-10T11:38:55,811 running dist_info 2026-02-10T11:38:55,822 creating /tmp/pip-modern-metadata-u_lzg_y_/xcbm.egg-info 2026-02-10T11:38:55,823 writing /tmp/pip-modern-metadata-u_lzg_y_/xcbm.egg-info/PKG-INFO 2026-02-10T11:38:55,826 writing dependency_links to /tmp/pip-modern-metadata-u_lzg_y_/xcbm.egg-info/dependency_links.txt 2026-02-10T11:38:55,838 writing top-level names to /tmp/pip-modern-metadata-u_lzg_y_/xcbm.egg-info/top_level.txt 2026-02-10T11:38:55,840 writing manifest file '/tmp/pip-modern-metadata-u_lzg_y_/xcbm.egg-info/SOURCES.txt' 2026-02-10T11:39:27,177 reading manifest file '/tmp/pip-modern-metadata-u_lzg_y_/xcbm.egg-info/SOURCES.txt' 2026-02-10T11:39:27,179 adding license file 'LICENSE' 2026-02-10T11:39:27,808 writing manifest file '/tmp/pip-modern-metadata-u_lzg_y_/xcbm.egg-info/SOURCES.txt' 2026-02-10T11:39:27,833 creating '/tmp/pip-modern-metadata-u_lzg_y_/xcbm-0.1.8.dist-info' 2026-02-10T11:39:27,976 Preparing metadata (pyproject.toml): finished with status 'done' 2026-02-10T11:39:27,981 Source in /tmp/pip-wheel-9uepxmn1/xcbm_eb28dcdb19ae45f8a263f7249b66763c has version 0.1.8, which satisfies requirement xcbm==0.1.8 from https://files.pythonhosted.org/packages/72/88/1a33887cecdb5a2cef0ce35dc7b7698f48504e4f249fe4d09fd86e332059/xcbm-0.1.8.tar.gz 2026-02-10T11:39:27,983 Removed xcbm==0.1.8 from https://files.pythonhosted.org/packages/72/88/1a33887cecdb5a2cef0ce35dc7b7698f48504e4f249fe4d09fd86e332059/xcbm-0.1.8.tar.gz from build tracker '/tmp/pip-build-tracker-d4yyymx_' 2026-02-10T11:39:27,987 Created temporary directory: /tmp/pip-unpack-61kf908j 2026-02-10T11:39:27,988 Building wheels for collected packages: xcbm 2026-02-10T11:39:27,994 Created temporary directory: /tmp/pip-wheel-z3lbqmyn 2026-02-10T11:39:27,994 Destination directory: /tmp/pip-wheel-z3lbqmyn 2026-02-10T11:39:27,997 Building wheel for xcbm (pyproject.toml): started 2026-02-10T11:39:27,998 Running command Building wheel for xcbm (pyproject.toml) 2026-02-10T11:39:32,162 running bdist_wheel 2026-02-10T11:39:32,180 running build 2026-02-10T11:39:32,181 running build_py 2026-02-10T11:39:32,187 creating build/lib/xcbm 2026-02-10T11:39:32,190 copying xcbm/GMTKN55.py -> build/lib/xcbm 2026-02-10T11:39:32,192 copying xcbm/MGCDB84.py -> build/lib/xcbm 2026-02-10T11:39:32,195 creating build/lib/xcbm/Input_Scripts 2026-02-10T11:39:32,196 copying xcbm/Input_Scripts/calc_GMTKN55.py -> build/lib/xcbm/Input_Scripts 2026-02-10T11:39:32,198 copying xcbm/Input_Scripts/calc_MGCDB84.py -> build/lib/xcbm/Input_Scripts 2026-02-10T11:39:36,318 running egg_info 2026-02-10T11:39:36,329 writing xcbm.egg-info/PKG-INFO 2026-02-10T11:39:36,331 writing dependency_links to xcbm.egg-info/dependency_links.txt 2026-02-10T11:39:36,341 writing top-level names to xcbm.egg-info/top_level.txt 2026-02-10T11:40:06,088 reading manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:40:07,024 adding license file 'LICENSE' 2026-02-10T11:40:08,028 writing manifest file 'xcbm.egg-info/SOURCES.txt' 2026-02-10T11:40:38,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:40:38,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:40:38,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:40:38,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:40:38,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:38,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:38,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:40:38,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:40:38,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:40:38,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:40:38,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:40:38,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:40:38,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:38,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:38,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:40:38,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:40:38,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:38,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:38,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:40:38,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:40:38,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:40:38,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:40:38,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:40:38,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:40:38,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:40:38,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:40:38,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:40:38,330 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:40:38,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:40:38,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:40:38,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:40:38,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:40:38,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:38,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:38,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:40:38,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:40:38,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:40:38,348 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:40:38,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:40:38,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:40:38,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:40:38,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:40:38,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:40:38,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:40:38,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:40:38,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:40:38,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:40:38,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:40:38,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:40:38,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:40:38,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:40:38,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:40:38,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:38,376 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:38,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:40:38,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:40:38,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:40:38,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:40:38,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:40:38,387 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:40:38,389 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:40:38,390 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:40:38,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:40:38,394 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:40:38,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:40:38,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:40:38,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:38,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:38,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:40:38,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:40:38,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:40:38,407 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:40:38,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:40:38,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:40:38,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:40:38,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:40:38,416 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:38,417 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:38,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:40:38,420 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:40:38,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:40:38,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:40:38,426 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:40:38,427 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:40:38,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:40:38,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:40:38,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:40:38,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:40:38,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:40:38,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:40:38,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:40:38,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:40:38,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:40:38,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:40:38,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:40:38,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:40:38,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:40:38,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:40:38,454 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:40:38,455 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:40:38,457 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:38,458 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:38,460 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:40:38,461 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:40:38,463 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:38,464 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:38,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:40:38,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:40:38,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:40:38,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:40:38,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:40:38,473 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:40:38,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:40:38,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:40:38,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:40:38,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:40:38,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:38,484 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:38,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:38,489 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:38,491 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:38,492 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:38,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:38,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:38,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:38,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:38,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:38,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:38,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:38,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:38,506 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:38,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:38,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:38,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:38,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:38,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:38,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:38,516 copying xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:38,518 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:38,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:38,522 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:40:38,523 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:40:38,525 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:38,526 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:38,528 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:40:38,529 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:40:38,531 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:40:38,532 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:40:38,534 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:38,535 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:38,537 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:38,538 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:38,541 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:38,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:38,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:38,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:38,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:40:38,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:40:38,552 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:38,553 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:38,555 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:38,556 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:38,558 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:38,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:38,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:38,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:38,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:38,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:38,567 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:40:38,568 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:40:38,570 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:40:38,571 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:40:38,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:38,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:38,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:38,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:38,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:38,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:38,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:40:38,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:40:38,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:40:38,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:40:38,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:38,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:38,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:38,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:38,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:40:38,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:40:38,604 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:38,605 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:38,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:38,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:38,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:38,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:38,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:40:38,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:40:38,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:38,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:38,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:38,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:38,625 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:40:38,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:40:38,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:40:38,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:40:38,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:38,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:38,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:40:38,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:40:38,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:40:38,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:40:38,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:38,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:38,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:38,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:38,648 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:40:38,649 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:40:38,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:38,654 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:38,657 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:40:38,658 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:40:38,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:40:38,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:40:38,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:38,666 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:38,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:40:38,669 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:40:38,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:40:38,672 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:40:38,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:38,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:38,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:40:38,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:40:38,681 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:38,682 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:38,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:40:38,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:40:38,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:38,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:38,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:40:38,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:40:38,693 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:40:38,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:40:38,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:38,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:38,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:38,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:38,704 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:40:38,706 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:40:38,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:38,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:38,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:40:38,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:40:38,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:38,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:38,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:38,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:38,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:38,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:38,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:40:38,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:40:38,731 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:38,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:38,735 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:40:38,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:40:38,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:38,739 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:38,741 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:40:38,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:40:38,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:38,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:38,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:40:38,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:40:38,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:38,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:38,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:38,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:38,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:40:38,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:40:38,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:38,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:38,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:40:38,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:40:38,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:40:38,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:40:38,769 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:38,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:38,772 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:38,773 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:38,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:40:38,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:40:38,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:38,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:38,782 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:40:38,783 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:40:38,785 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:40:38,786 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:40:38,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:38,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:38,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:38,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:38,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:38,795 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:38,797 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:38,798 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:38,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:38,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:38,804 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:40:38,805 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:40:38,807 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:40:38,808 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:40:38,810 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:38,811 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:38,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:40:38,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:40:38,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:40:38,818 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:40:38,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:38,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:38,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:38,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:38,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:38,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:38,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:38,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:38,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:40:38,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:40:38,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:38,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:38,842 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:40:38,843 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:40:38,845 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:38,846 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:38,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:38,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:38,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:38,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:38,854 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:38,855 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:38,857 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:38,858 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:38,861 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:38,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:38,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:38,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:38,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:40:38,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:40:38,872 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:40:38,873 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:40:38,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:38,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:38,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:40:38,884 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:40:38,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:38,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:38,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:38,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:38,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:38,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:38,898 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:38,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:38,903 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:40:38,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:40:38,908 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:40:38,909 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:40:38,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:38,913 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:38,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:38,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:38,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:40:38,920 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:40:38,922 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:38,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:38,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:38,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:38,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:38,930 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:38,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:40:38,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:40:38,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:38,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:38,942 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:38,943 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:38,946 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:38,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:38,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:40:38,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:40:38,954 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:38,955 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:38,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:38,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:38,962 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:40:38,964 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:40:38,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:40:38,969 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:40:38,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:40:38,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:40:38,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:40:38,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:40:38,985 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:40:38,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:40:38,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:38,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:38,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:38,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:38,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:38,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:39,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:39,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:39,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:39,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:39,008 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:39,009 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:39,011 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:40:39,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:40:39,015 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:40:39,016 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:40:39,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:40:39,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:40:39,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:40:39,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:40:39,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:40:39,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:40:39,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:40:39,038 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:40:39,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:40:39,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:40:39,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:40:39,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:40:39,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:39,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:39,065 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:39,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:39,073 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:40:39,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:40:39,080 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:39,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:39,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:39,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:39,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:39,089 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:39,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:40:39,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:40:39,096 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:39,097 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:39,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:40:39,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:40:39,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:39,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:39,107 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:40:39,108 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:40:39,110 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:39,111 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:39,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:39,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:39,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:39,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:39,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:40:39,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:40:39,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:40:39,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:40:39,127 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:39,128 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:39,130 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:40:39,131 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:40:39,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:40:39,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:40:39,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:39,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:39,142 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:39,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:39,146 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:39,147 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:39,149 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:40:39,150 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:40:39,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:40:39,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:40:39,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:39,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:39,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:40:39,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:40:39,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:40:39,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:40:39,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:40:39,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:40:39,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:40:39,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:40:39,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:40:39,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:40:39,177 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:40:39,178 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:40:39,180 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:40:39,181 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:40:39,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:40:39,185 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:40:39,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:40:39,189 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:40:39,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:40:39,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:40:39,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:40:39,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:40:39,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:40:39,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:40:39,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:40:39,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:40:39,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:40:39,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:40:39,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:40:39,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:40:39,211 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:40:39,212 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:40:39,215 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:40:39,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:40:39,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:40:39,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:40:39,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:40:39,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:40:39,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:40:39,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:40:39,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:40:39,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:40:39,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:40:39,241 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:40:39,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:40:39,248 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:40:39,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:40:39,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:40:39,260 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:40:39,261 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:40:39,264 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:40:39,265 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:40:39,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:40:39,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:40:39,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:40:39,277 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:40:39,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:40:39,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:40:39,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:40:39,288 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:40:39,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:40:39,295 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:40:39,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:40:39,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:40:39,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:40:39,532 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:40:39,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:40:39,538 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:40:39,541 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:40:39,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:40:39,547 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:40:39,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:40:39,552 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:40:39,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:40:39,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:40:39,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:40:39,563 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:40:39,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:40:39,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:40:39,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:40:39,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:40:39,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:40:39,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:40:39,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:40:39,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:40:39,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:40:39,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:40:39,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:40:39,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:40:39,596 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:40:39,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:40:39,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:40:39,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:40:39,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:40:39,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:39,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:39,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:39,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:39,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:39,623 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:39,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:39,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:39,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:39,634 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:39,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:39,637 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:39,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:39,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:39,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:39,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:39,648 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:39,649 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:39,652 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:39,653 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:39,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:39,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:39,660 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:39,661 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:39,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:39,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:39,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:39,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:39,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:39,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:39,674 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:39,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:39,678 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:39,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:39,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:39,683 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:39,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:39,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:39,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:39,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:39,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:39,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:39,698 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:39,699 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:39,702 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:39,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:39,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:39,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:39,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:39,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:39,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:39,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:39,715 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:39,716 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:39,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:39,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:39,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:39,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:39,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:39,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:39,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:39,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:39,731 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:39,732 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:39,735 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:39,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:39,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:39,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:39,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:39,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:39,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:39,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:39,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:39,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:39,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:39,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:39,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:39,759 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:39,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:39,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:39,765 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:39,766 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:39,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:39,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:39,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:39,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:39,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:40:39,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:40:39,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:40:39,784 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:40:39,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:39,789 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:39,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:39,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:39,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:39,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:39,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:39,801 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:39,804 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:39,805 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:39,807 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:39,808 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:39,811 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:39,812 copying xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:39,814 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:39,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:39,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:40:39,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:40:39,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:39,823 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:39,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:40:39,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:40:39,829 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:40:39,830 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:40:39,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:40:39,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:40:39,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:40:39,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:40:39,839 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:39,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:39,842 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:39,843 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:39,846 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:40:39,847 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:40:39,849 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:40:39,850 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:40:39,852 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:39,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:39,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:40:39,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:40:39,860 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:40:39,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:40:39,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:40:39,864 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:40:39,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:40:39,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:40:39,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:39,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:39,874 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:40:39,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:40:39,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:40:39,881 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:40:39,883 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:39,884 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:39,886 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:40:39,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:40:39,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:40:39,892 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:40:39,895 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:39,896 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:39,899 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:39,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:39,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:39,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:39,908 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:40:39,909 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:40:39,911 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:39,912 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:39,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:39,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:39,918 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:40:39,919 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:40:39,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:39,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:39,924 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:39,925 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:39,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:39,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:39,931 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:40:39,932 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:40:39,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:39,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:39,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:39,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:39,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:39,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:39,945 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:39,945 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:39,948 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:40:39,949 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:40:39,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:40:39,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:40:39,955 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:40:39,956 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:40:39,958 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:39,959 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:39,961 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:40:39,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:40:39,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:39,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:39,968 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:39,970 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:39,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:40:39,974 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:40:39,976 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:40:39,978 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:40:39,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:40:39,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:40:39,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:39,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:39,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:39,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:39,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:39,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:39,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:40:39,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:40:39,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:39,999 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:40,001 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:40,003 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:40,005 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:40,007 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:40,009 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:40,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:40,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:40:40,013 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:40:40,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:40:40,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:40:40,020 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:40,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:40,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:40:40,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:40:40,028 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:40,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:40,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:40:40,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:40:40,035 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:40:40,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:40:40,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:40:40,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:40:40,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:40,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:40,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:40:40,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:40:40,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:40:40,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:40:40,054 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:40:40,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:40:40,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:40:40,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:40:40,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:40,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:40,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:40:40,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:40:40,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:40:40,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:40:40,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:40,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:40,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:40,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:40,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:40:40,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:40:40,082 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:40,083 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:40,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:40:40,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:40:40,091 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:40:40,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:40:40,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:40:40,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:40:40,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:40:40,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:40:40,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:40,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:40,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:40:40,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:40:40,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:40,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:40,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:40,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:40,116 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:40:40,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:40:40,120 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:40:40,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:40:40,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:40,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:40,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:40,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:40,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:40,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:40,136 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:40,137 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:40,140 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:40:40,141 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:40:40,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:40:40,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:40:40,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:40:40,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:40:40,152 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:40:40,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:40:40,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:40:40,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:40:40,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:40:40,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:40:40,162 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:40,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:40,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:40,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:40,171 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:40,172 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:40,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:40:40,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:40:40,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:40:40,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:40:40,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:40,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:40,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:40,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:40,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:40,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:40,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:40,194 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:40,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:40,198 copying xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:40,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:40,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:40,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:40,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:40,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:40,211 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:40,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:40,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:40,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:40,219 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:40,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:40,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:40,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:40,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:40,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:40,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:40,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:40,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:40,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:40,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:40,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:40,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:40,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:40,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:40,247 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:40,248 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:40,251 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:40,252 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:40,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:40,256 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:40,258 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:40,259 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:40,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:40,263 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:40,265 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:40,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:40,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:40,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:40,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:40,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:40,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:40,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:40,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:40,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:40,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:40,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:40,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:40,288 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:40,291 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:40,292 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:40,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:40,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:40,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:40,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:40,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:40,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:40,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:40,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:40,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:40,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:40,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:40,314 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:40,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:40,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:40,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:40,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:40,323 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:40,324 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:40,326 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:40,327 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:40,329 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:40,330 copying xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:40,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:40:40,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:40:40,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:40:40,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:40:40,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:40:40,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:40:40,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:40:40,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:40:40,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:40:40,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:40:40,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:40:40,349 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:40:40,351 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:40:40,352 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:40:40,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:40:40,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:40:40,357 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:40:40,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:40:40,360 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:40:40,361 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:40:40,363 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:40:40,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:40:40,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:40:40,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:40:40,370 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:40:40,371 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:40:40,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:40:40,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:40:40,376 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:40:40,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:40:40,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:40:40,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:40:40,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:40:40,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:40:40,385 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:40:40,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:40:40,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:40:40,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:40:40,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:40:40,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:40:40,394 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:40:40,395 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:40:40,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:40:40,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:40:40,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:40:40,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:40:40,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:40:40,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:40:40,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:40:40,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:40:40,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:40:40,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:40:40,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:40:40,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:40:40,416 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:40:40,417 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:40:40,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:40:40,420 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:40:40,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:40:40,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:40:40,425 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:40:40,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:40:40,429 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:40:40,430 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:40:40,432 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:40:40,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:40:40,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:40:40,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:40:40,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:40:40,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:40:40,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:40:40,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:40:40,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:40:40,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:40:40,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:40:40,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:40:40,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:40:40,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:40:40,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:40:40,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:40:40,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:40:40,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:40:40,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:40:40,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:40:40,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:40:40,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:40:40,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:40:40,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:40:40,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:40:40,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:40:40,473 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:40:40,474 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:40:40,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:40:40,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:40:40,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:40:40,481 copying xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:40:40,483 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:40:40,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:40:40,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:40:40,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:40:40,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:40:40,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:40:40,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:40:40,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:40:40,498 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:40:40,499 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:40:40,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:40,503 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:40,505 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:40:40,507 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:40:40,510 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:40:40,511 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:40:40,513 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:40,514 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:40,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:40:40,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:40:40,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:40:40,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:40:40,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:40:40,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:40:40,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:40:40,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:40:40,531 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:40:40,532 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:40:40,535 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:40:40,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:40:40,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:40,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:40,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:40:40,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:40:40,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:40:40,548 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:40:40,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:40:40,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:40:40,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:40:40,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:40:40,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:40:40,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:40:40,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:40:40,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:40:40,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:40:40,565 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:40:40,567 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:40,568 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:40,570 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:40:40,571 copying xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:40:40,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:40:40,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:40:40,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:40:40,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:40:40,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:40:40,584 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:40:40,586 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:40:40,587 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:40:40,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:40:40,590 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:40:40,593 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:40:40,594 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:40:40,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:40:40,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:40:40,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:40:40,600 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:40:40,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:40:40,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:40:40,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:40:40,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:40:40,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:40:40,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:40:40,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:40:40,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:40:40,617 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:40:40,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:40:40,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:40:40,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:40:40,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:40:40,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:40:40,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:40:40,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:40:40,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:40:40,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:40:40,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:40:40,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:40:40,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:40:40,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:40:40,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:40:40,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:40:40,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:40:40,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:40:40,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:40:40,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:40:40,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:40:40,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:40:40,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:40:40,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:40:40,657 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:40:40,658 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:40:40,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:40:40,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:40:40,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:40:40,666 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:40:40,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:40:40,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:40:40,673 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:40:40,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:40:40,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:40:40,679 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:40:40,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:40:40,683 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:40:40,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:40:40,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:40:40,689 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:40:40,690 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:40:40,692 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:40:40,693 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:40:40,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:40:40,697 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:40:40,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:40:40,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:40:40,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:40:40,703 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:40:40,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:40:40,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:40:40,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:40:40,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:40:40,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:40:40,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:40:40,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:40:40,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:40:40,719 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:40:40,721 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:40:40,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:40:40,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:40:40,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:40:40,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:40:40,730 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:40:40,731 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:40:40,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:40:40,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:40:40,737 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:40:40,738 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:40:40,741 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:40:40,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:40:40,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:40:40,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:40:40,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:40:40,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:40:40,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:40:40,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:40:40,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:40:40,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:40:40,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:40:40,757 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:40:40,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:40:40,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:40:40,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:40:40,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:40:40,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:40:40,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:40:40,769 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:40:40,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:40:40,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:40:40,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:40:40,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:40:40,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:40:40,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:40:40,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:40:40,784 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:40:40,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:40:40,787 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:40:40,788 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:40:40,790 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:40:40,791 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:40:40,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:40:40,795 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:40:40,797 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:40:40,798 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:40:40,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:40:40,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:40:40,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:40:40,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:40:40,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:40:40,811 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:40:40,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:40:40,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:40:40,816 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:40:40,817 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:40:40,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:40:40,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:40:40,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:40:40,824 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:40:40,826 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:40:40,827 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:40:40,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:40:40,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:40:40,833 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:40:40,834 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:40:40,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:40:40,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:40:40,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:40:40,841 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:40:40,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:40:40,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:40:40,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:40:40,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:40:40,850 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:40:40,851 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:40:40,854 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:40:40,855 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:40:40,858 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:40:40,859 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:40:40,862 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:40:40,863 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:40:40,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:40:40,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:40:40,870 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:40:40,871 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:40:40,874 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:40:40,875 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:40:40,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:40:40,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:40:40,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:40:40,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:40:40,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:40:40,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:40:40,889 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:40:40,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:40:40,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:40:40,894 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:40:40,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:40:40,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:40:40,900 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:40:40,901 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:40:40,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:40:40,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:40:40,908 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:40:40,909 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:40:40,912 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:40:40,913 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:40:40,916 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:40:40,917 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:40:40,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:40:40,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:40:40,924 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:40:40,925 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:40:40,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:40:40,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:40:40,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:40:40,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:40:40,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:40:40,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:40:40,939 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:40:40,940 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:40:40,942 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:40:40,943 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:40:40,946 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:40:40,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:40:40,949 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:40:40,950 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:40:40,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:40:40,953 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:40:40,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:40:40,957 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:40:40,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:40:40,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:40:40,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:40:40,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:40:40,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:40:40,969 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:40:40,971 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:40:40,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:40:40,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:40:40,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:40:40,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:40:40,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:40:40,981 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:40:40,982 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:40:40,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:40:40,985 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:40:40,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:40:40,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:40:40,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:40:40,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:40:40,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:40:40,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:40:40,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:40:41,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:40:41,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:40:41,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:40:41,006 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:40:41,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:40:41,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:40:41,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:40:41,014 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:40:41,015 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:40:41,018 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:40:41,019 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:40:41,021 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:40:41,022 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:40:41,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:40:41,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:40:41,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:40:41,028 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:40:41,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:40:41,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:40:41,033 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:40:41,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:40:41,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:40:41,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:40:41,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:40:41,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:40:41,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:40:41,047 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:40:41,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:40:41,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:40:41,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:40:41,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:40:41,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:40:41,058 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:40:41,060 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:40:41,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:40:41,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:40:41,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:40:41,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:40:41,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:40:41,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:40:41,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:40:41,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:40:41,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:40:41,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:40:41,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:40:41,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:40:41,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:40:41,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:40:41,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:40:41,088 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:40:41,089 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:40:41,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:40:41,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:40:41,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:40:41,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:40:41,099 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:40:41,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:40:41,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:40:41,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:40:41,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:40:41,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:40:41,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:40:41,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:40:41,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:40:41,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:40:41,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:40:41,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:40:41,120 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:40:41,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:40:41,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:40:41,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:40:41,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:40:41,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:40:41,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:40:41,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:40:41,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:40:41,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:40:41,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:40:41,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:40:41,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:40:41,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:40:41,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:40:41,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:40:41,149 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:40:41,150 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:40:41,152 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:40:41,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:40:41,156 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:40:41,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:40:41,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:40:41,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:40:41,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:40:41,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:40:41,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:40:41,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:40:41,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:40:41,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:40:41,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:40:41,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:40:41,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:40:41,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:40:41,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:40:41,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:40:41,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:40:41,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:40:41,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:40:41,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:40:41,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:40:41,195 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:40:41,198 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:40:41,199 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:40:41,202 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:40:41,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:40:41,205 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:40:41,206 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:40:41,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:40:41,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:40:41,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:40:41,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:40:41,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:40:41,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:40:41,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:40:41,221 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:40:41,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:40:41,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:40:41,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:40:41,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:40:41,231 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:40:41,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:40:41,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:40:41,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:40:41,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:40:41,239 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:40:41,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:40:41,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:40:41,244 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:40:41,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:40:41,248 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:40:41,249 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:40:41,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:40:41,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:40:41,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:40:41,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:40:41,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:40:41,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:40:41,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:40:41,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:40:41,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:40:41,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:40:41,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:40:41,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:40:41,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:40:41,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:40:41,276 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:40:41,277 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:40:41,280 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:40:41,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:40:41,283 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:40:41,284 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:40:41,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:40:41,287 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:40:41,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:40:41,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:40:41,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:40:41,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:40:41,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:40:41,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:40:41,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:40:41,299 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:40:41,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:40:41,302 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:40:41,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:40:41,305 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:40:41,307 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:40:41,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:40:41,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:40:41,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:40:41,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:41,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:41,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:41,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:41,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:41,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:41,324 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:41,325 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:41,327 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:41,328 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:41,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:40:41,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:40:41,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:40:41,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:40:41,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:41,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:41,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:41,340 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:41,343 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:41,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:41,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:41,347 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:41,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:41,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:41,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:41,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:41,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:41,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:41,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:41,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:41,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:41,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:41,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:41,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:41,370 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:41,371 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:41,374 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:41,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:41,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:40:41,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:40:41,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:40:41,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:40:41,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:40:41,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:40:41,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:40:41,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:40:41,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:41,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:41,396 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:40:41,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:40:41,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:41,401 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:41,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:40:41,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:40:41,408 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:41,409 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:41,412 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:41,413 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:41,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:41,416 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:41,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:41,420 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:41,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:41,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:41,425 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:41,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:41,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:41,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:41,432 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:40:41,433 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:40:41,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:41,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:41,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:41,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:41,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:40:41,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:40:41,447 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:41,448 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:41,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:40:41,452 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:40:41,454 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:41,455 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:41,457 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:40:41,458 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:40:41,460 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:40:41,461 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:40:41,464 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:41,465 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:41,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:41,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:41,472 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:41,473 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:41,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:41,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:41,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:41,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:41,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:40:41,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:40:41,486 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:41,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:41,490 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:41,491 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:41,494 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:41,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:41,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:40:41,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:40:41,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:40:41,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:40:41,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:40:41,506 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:40:41,508 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:40:41,509 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:40:41,511 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:40:41,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:40:41,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:41,516 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:41,518 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:41,519 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:41,522 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:40:41,523 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:40:41,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:41,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:41,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:41,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:41,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:40:41,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:40:41,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:41,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:41,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:41,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:41,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:41,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:41,547 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:40:41,548 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:40:41,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:41,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:41,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:40:41,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:40:41,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:40:41,558 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:40:41,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:41,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:41,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:41,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:41,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:41,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:41,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:41,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:41,578 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:41,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:41,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:40:41,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:40:41,585 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:40:41,586 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:40:41,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:40:41,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:40:41,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:40:41,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:40:41,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:41,595 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:41,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:41,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:41,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:41,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:41,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:41,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:41,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:40:41,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:40:41,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:41,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:41,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:40:41,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:40:41,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:40:41,620 copying xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:40:41,623 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:41,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:41,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:41,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:41,632 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:40:41,633 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:40:41,635 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:41,636 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:41,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:41,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:41,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:41,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:41,644 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:41,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:41,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:41,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:41,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:40:41,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:40:41,653 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:41,654 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:41,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:41,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:41,660 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:41,661 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:41,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:41,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:41,668 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:41,669 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:41,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:41,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:41,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:40:41,678 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:40:41,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:41,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:41,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:41,684 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:41,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:41,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:41,689 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:41,690 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:41,692 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:41,694 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:41,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:41,697 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:41,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:41,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:41,702 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:41,703 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:41,705 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:41,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:41,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:40:41,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:40:41,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:41,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:41,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:40:41,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:40:41,719 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:41,720 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:41,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:41,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:41,726 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:41,727 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:41,730 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:41,730 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:41,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:40:41,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:40:41,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:41,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:41,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:41,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:41,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:41,743 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:41,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:41,746 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:41,749 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:41,750 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:41,752 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:40:41,753 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:40:41,755 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:41,756 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:41,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:41,759 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:41,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:41,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:41,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:41,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:41,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:41,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:41,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:41,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:41,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:40:41,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:40:41,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:41,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:41,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:41,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:41,782 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:41,783 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:41,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:41,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:41,791 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:41,792 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:41,794 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:40:41,795 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:40:41,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:41,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:41,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:41,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:41,816 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:41,817 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:41,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:41,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:41,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:41,823 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:41,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:41,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:41,828 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:40:41,829 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:40:41,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:41,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:41,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:41,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:41,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:41,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:41,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:41,841 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:41,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:41,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:41,846 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:41,847 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:41,849 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:40:41,850 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:40:41,852 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:41,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:41,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:41,858 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:41,860 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:41,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:41,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:41,864 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:41,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:40:41,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:40:41,869 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:41,870 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:41,872 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:40:41,873 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:40:41,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:40:41,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:40:41,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:41,879 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:41,881 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:41,882 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:41,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:41,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:41,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:41,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:41,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:41,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:41,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:41,894 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:41,896 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:41,897 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:41,899 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:41,900 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:41,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:41,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:41,906 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:40:41,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:40:41,911 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:41,912 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:41,914 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:41,915 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:41,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:40:41,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:40:41,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:40:41,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:40:41,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:40:41,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:40:41,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:40:41,927 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:40:41,930 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:40:41,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:40:41,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:40:41,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:40:41,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:40:41,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:40:41,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:40:41,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:40:41,941 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:40:41,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:40:41,945 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:40:41,946 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:40:41,949 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:40:41,950 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:40:41,952 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:40:41,953 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:40:41,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:40:41,957 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:40:41,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:40:41,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:40:41,964 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:40:41,965 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:40:41,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:40:41,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:40:41,971 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:40:41,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:40:41,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:40:41,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:40:41,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:40:41,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:40:41,982 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:40:41,983 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:40:41,985 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:40:41,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:40:41,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:40:41,990 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:40:41,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:40:41,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:40:41,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:40:41,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:40:41,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:40:42,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:40:42,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:40:42,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:40:42,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:40:42,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:40:42,010 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:40:42,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:40:42,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:40:42,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:40:42,017 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:40:42,018 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:40:42,020 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:40:42,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:40:42,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:40:42,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:40:42,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:40:42,028 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:40:42,031 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:40:42,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:40:42,035 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:40:42,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:40:42,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:40:42,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:40:42,041 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:40:42,042 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:40:42,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:40:42,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:40:42,048 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:40:42,049 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:40:42,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:40:42,053 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:40:42,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:40:42,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:40:42,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:40:42,060 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:40:42,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:40:42,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:40:42,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:40:42,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:40:42,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:40:42,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:40:42,073 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:40:42,074 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:40:42,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:40:42,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:40:42,080 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:40:42,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:40:42,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:40:42,084 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:40:42,086 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:40:42,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:40:42,090 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:40:42,091 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:40:42,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:40:42,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:40:42,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:40:42,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:40:42,100 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:40:42,101 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:40:42,104 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:40:42,105 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:40:42,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:40:42,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:40:42,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:40:42,112 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:40:42,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:40:42,116 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:40:42,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:40:42,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:40:42,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:40:42,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:40:42,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:40:42,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:40:42,127 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:40:42,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:40:42,131 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:40:42,132 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:40:42,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:40:42,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:40:42,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:40:42,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:40:42,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:40:42,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:40:42,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:40:42,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:40:42,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:40:42,150 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:40:42,152 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:40:42,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:40:42,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:40:42,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:40:42,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:40:42,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:40:42,162 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:42,163 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:42,166 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:42,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:42,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:40:42,172 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:40:42,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:40:42,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:40:42,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:40:42,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:40:42,181 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:42,182 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:42,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:42,186 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:42,188 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:40:42,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:40:42,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:40:42,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:40:42,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:40:42,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:40:42,200 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:40:42,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:40:42,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:42,204 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:42,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:40:42,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:40:42,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:42,211 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:42,214 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:40:42,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:40:42,218 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:42,219 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:42,222 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:40:42,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:40:42,225 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:40:42,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:40:42,229 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:42,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:42,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:40:42,233 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:40:42,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:42,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:42,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:42,241 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:42,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:42,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:42,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:40:42,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:40:42,250 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:40:42,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:40:42,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:40:42,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:40:42,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:40:42,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:40:42,261 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:42,262 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:42,265 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:40:42,265 copying xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:40:42,268 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:40:42,270 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:40:42,272 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:40:42,273 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:40:42,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:40:42,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:40:42,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:40:42,280 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:40:42,282 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:40:42,284 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:40:42,287 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:40:42,288 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:40:42,290 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:40:42,291 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:40:42,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:40:42,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:40:42,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:40:42,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:40:42,301 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:40:42,302 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:40:42,305 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:40:42,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:40:42,309 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:40:42,310 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:40:42,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:40:42,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:40:42,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:40:42,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:40:42,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:40:42,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:40:42,323 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:40:42,324 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:40:42,327 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:40:42,328 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:40:42,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:40:42,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:40:42,334 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:40:42,335 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:40:42,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:40:42,338 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:40:42,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:40:42,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:40:42,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:40:42,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:40:42,347 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:40:42,349 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:40:42,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:40:42,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:40:42,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:40:42,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:40:42,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:40:42,376 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:40:42,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:40:42,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:40:42,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:40:42,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:40:42,385 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:40:42,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:40:42,389 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:40:42,390 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:40:42,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:40:42,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:40:42,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:40:42,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:40:42,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:40:42,400 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:40:42,402 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:40:42,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:40:42,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:40:42,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:40:42,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:40:42,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:40:42,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:42,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:42,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:42,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:42,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:42,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:42,423 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:42,424 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:42,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:42,427 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:42,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:42,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:42,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:42,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:42,438 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:42,439 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:42,442 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:42,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:42,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:42,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:42,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:42,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:42,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:42,454 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:42,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:42,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:42,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:42,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:42,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:42,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:42,470 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:42,471 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:42,474 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:42,475 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:42,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:42,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:42,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:42,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:42,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:42,488 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:42,491 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:42,492 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:42,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:42,496 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:42,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:42,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:42,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:42,505 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:42,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:42,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:42,514 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:42,515 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:42,518 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:42,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:42,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:42,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:42,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:42,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:42,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:40:42,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:40:42,537 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:40:42,538 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:40:42,541 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:40:42,542 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:40:42,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:40:42,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:40:42,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:40:42,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:40:42,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:40:42,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:40:42,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:40:42,558 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:40:42,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:40:42,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:40:42,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:40:42,565 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:40:42,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:42,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:42,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:40:42,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:40:42,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:40:42,576 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:40:42,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:40:42,580 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:40:42,582 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:40:42,584 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:40:42,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:40:42,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:40:42,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:40:42,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:40:42,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:40:42,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:40:42,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:40:42,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:40:42,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:40:42,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:40:42,607 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:40:42,608 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:40:42,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:40:42,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:40:42,613 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:42,614 copying xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:42,617 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:40:42,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:40:42,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:40:42,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:40:42,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:40:42,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:40:42,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:40:42,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:40:42,632 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:40:42,633 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:40:42,636 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:40:42,637 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:40:42,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:40:42,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:40:42,643 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:40:42,644 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:40:42,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:40:42,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:40:42,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:40:42,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:40:42,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:40:42,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:40:42,657 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:40:42,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:40:42,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:40:42,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:40:42,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:40:42,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:40:42,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:40:42,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:40:42,671 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:40:42,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:40:42,674 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:40:42,675 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:40:42,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:40:42,678 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:40:42,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:40:42,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:40:42,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:40:42,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:40:42,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:40:42,689 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:40:42,691 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:40:42,692 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:40:42,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:40:42,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:40:42,697 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:40:42,698 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:40:42,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:40:42,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:40:42,704 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:40:42,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:40:42,707 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:40:42,708 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:40:42,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:40:42,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:40:42,713 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:40:42,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:40:42,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:40:42,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:40:42,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:40:42,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:40:42,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:40:42,725 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:40:42,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:40:42,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:40:42,730 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:40:42,731 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:40:42,733 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:40:42,734 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:40:42,737 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:40:42,738 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:40:42,740 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:40:42,741 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:40:42,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:40:42,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:40:42,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:40:42,747 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:40:42,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:40:42,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:40:42,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:40:42,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:40:42,756 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:40:42,757 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:40:42,760 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:40:42,761 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:40:42,763 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:40:42,764 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:40:42,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:40:42,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:40:42,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:40:42,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:40:42,774 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:40:42,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:40:42,778 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:40:42,779 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:40:42,782 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:40:42,783 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:40:42,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:40:42,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:40:42,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:40:42,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:40:42,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:40:42,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:40:42,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:40:42,796 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:40:42,798 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:40:42,799 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:40:42,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:40:42,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:40:42,804 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:40:42,805 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:40:42,807 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:40:42,808 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:40:42,811 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:40:42,811 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:40:42,814 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:40:42,815 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:40:42,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:40:42,818 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:40:42,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:40:42,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:40:42,824 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:40:42,825 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:40:42,827 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:40:42,828 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:40:42,831 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:40:42,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:40:42,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:40:42,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:40:42,839 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:40:42,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:40:42,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:40:42,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:40:42,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:40:42,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:40:42,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:40:42,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:40:42,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:40:42,857 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:40:42,860 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:40:42,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:40:42,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:40:42,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:40:42,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:40:42,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:40:42,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:40:42,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:40:42,874 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:40:42,875 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:40:42,878 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:40:42,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:40:42,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:40:42,884 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:40:42,887 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:40:42,888 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:40:42,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:40:42,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:40:42,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:40:42,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:40:42,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:40:42,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:40:42,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:40:42,902 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:40:42,904 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:40:42,905 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:40:42,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:40:42,909 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:40:42,911 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:40:42,912 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:40:42,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:40:42,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:40:42,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:40:42,920 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:40:42,923 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:40:42,924 copying xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:40:42,927 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:40:42,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:40:42,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:40:42,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:40:42,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:40:42,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:40:42,939 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:40:42,942 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:40:42,945 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:40:42,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:40:42,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:40:42,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:40:42,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:40:42,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:40:42,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:40:42,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:40:42,961 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:40:42,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:40:42,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:40:42,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:40:42,969 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:40:42,970 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:40:42,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:40:42,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:40:42,976 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:40:42,977 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:40:42,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:40:42,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:40:42,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:40:42,984 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:40:42,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:40:42,988 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:40:42,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:40:42,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:40:42,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:40:42,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:40:43,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:40:43,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:40:43,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:40:43,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:40:43,008 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:40:43,009 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:40:43,011 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:40:43,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:40:43,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:40:43,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:40:43,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:40:43,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:40:43,024 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:40:43,025 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:40:43,028 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:40:43,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:40:43,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:40:43,033 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:40:43,035 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:40:43,036 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:40:43,039 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:40:43,040 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:40:43,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:40:43,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:40:43,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:40:43,049 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:40:43,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:40:43,052 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:40:43,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:40:43,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:40:43,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:40:43,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:40:43,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:40:43,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:40:43,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:40:43,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:40:43,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:40:43,071 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:40:43,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:40:43,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:40:43,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:40:43,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:40:43,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:40:43,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:40:43,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:40:43,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:40:43,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:40:43,091 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:40:43,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:40:43,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:40:43,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:40:43,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:40:43,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:40:43,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:40:43,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:40:43,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:40:43,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:40:43,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:40:43,112 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:40:43,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:40:43,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:40:43,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:40:43,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:40:43,123 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:40:43,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:40:43,127 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:40:43,129 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:40:43,130 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:40:43,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:40:43,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:40:43,136 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:40:43,137 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:40:43,139 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:40:43,140 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:40:43,143 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:40:43,144 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:40:43,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:40:43,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:40:43,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:40:43,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:40:43,153 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:40:43,154 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:40:43,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:40:43,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:40:43,161 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:40:43,162 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:40:43,165 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:40:43,166 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:40:43,169 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:40:43,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:40:43,173 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:40:43,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:40:43,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:40:43,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:40:43,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:40:43,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:40:43,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:40:43,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:40:43,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:40:43,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:40:43,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:40:43,194 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:40:43,197 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:40:43,198 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:40:43,201 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:40:43,202 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:40:43,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:40:43,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:40:43,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:40:43,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:40:43,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:40:43,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:40:43,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:40:43,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:40:43,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:40:43,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:40:43,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:40:43,226 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:40:43,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:40:43,230 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:40:43,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:40:43,233 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:40:43,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:40:43,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:40:43,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:40:43,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:40:43,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:43,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:43,246 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:43,247 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:43,250 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:43,252 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:43,254 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:43,255 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:43,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:43,259 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:43,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:43,263 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:43,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:43,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:43,271 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:43,272 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:43,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:43,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:43,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:43,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:43,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:43,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:43,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:43,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:43,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:43,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:43,297 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:43,298 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:43,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:43,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:43,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:43,308 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:43,311 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:43,312 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:43,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:43,317 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:43,320 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:43,321 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:43,324 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:43,325 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:43,329 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:40:43,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:40:43,334 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:40:43,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:40:43,339 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:40:43,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:40:43,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:40:43,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:40:43,348 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:40:43,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:40:43,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:40:43,354 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:40:43,358 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:40:43,359 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:40:43,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:40:43,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:40:43,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:40:43,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:40:43,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:40:43,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:40:43,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:40:43,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:40:43,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:40:43,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:40:43,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:40:43,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:40:43,383 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:40:43,384 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:40:43,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:40:43,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:40:43,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:40:43,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:40:43,396 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:40:43,397 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:40:43,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:40:43,400 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:40:43,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:40:43,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:40:43,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:40:43,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:40:43,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:40:43,413 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:40:43,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:40:43,417 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:40:43,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:40:43,420 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:40:43,422 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:40:43,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:40:43,426 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:40:43,427 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:40:43,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:40:43,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:40:43,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:40:43,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:40:43,438 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:40:43,439 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:40:43,442 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:40:43,443 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:40:43,445 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:40:43,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:40:43,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:40:43,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:40:43,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:40:43,455 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:40:43,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:40:43,459 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:40:43,461 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:40:43,462 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:40:43,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:40:43,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:40:43,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:40:43,471 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:40:43,473 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:40:43,475 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:40:43,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:40:43,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:40:43,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:40:43,482 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:40:43,485 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:40:43,486 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:40:43,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:40:43,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:40:43,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:40:43,494 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:40:43,496 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:40:43,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:40:43,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:40:43,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:40:43,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:40:43,506 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:40:43,508 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:40:43,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:40:43,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:40:43,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:40:43,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:40:43,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:40:43,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:40:43,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:40:43,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:40:43,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:40:43,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:40:43,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:40:43,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:40:43,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:40:43,534 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:40:43,536 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:40:43,538 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:40:43,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:40:43,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:40:43,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:40:43,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:40:43,548 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:40:43,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:40:43,552 copying xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:40:43,555 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:43,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:43,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:43,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:43,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:43,565 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:43,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:43,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:43,572 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:43,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:43,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:43,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:43,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:43,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:43,583 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:43,584 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:43,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:43,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:43,592 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:43,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:43,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:43,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:43,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:43,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:43,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:43,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:43,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:43,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:43,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:43,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:43,613 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:43,614 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:43,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:43,617 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:43,620 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:43,621 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:43,624 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:43,625 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:43,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:43,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:43,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:43,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:43,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:43,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:43,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:43,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:43,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:43,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:43,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:43,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:43,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:43,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:43,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:43,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:43,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:43,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:43,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:43,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:43,666 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:43,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:43,671 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:43,672 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:43,675 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:43,676 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:43,679 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:43,680 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:43,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:43,684 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:43,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:43,689 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:43,692 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:43,693 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:43,696 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:43,697 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:43,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:43,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:43,705 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:43,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:43,710 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:43,711 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:43,714 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:43,715 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:43,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:43,720 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:43,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:43,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:43,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:43,728 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:43,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:43,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:43,737 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:43,738 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:43,741 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:43,742 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:43,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:43,745 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:43,749 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:43,750 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:43,752 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:43,753 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:43,756 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:43,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:43,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:43,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:43,765 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:43,766 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:43,769 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:43,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:43,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:43,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:43,777 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:43,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:43,781 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:43,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:43,785 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:43,786 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:43,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:43,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:43,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:43,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:43,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:43,796 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:43,798 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:43,799 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:43,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:43,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:43,807 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:43,808 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:43,810 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:43,811 copying xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:43,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:40:43,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:40:43,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:40:43,818 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:40:43,820 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:40:43,821 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:40:43,823 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:40:43,824 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:40:43,826 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:40:43,828 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:40:43,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:43,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:43,833 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:40:43,834 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:40:43,836 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:43,837 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:43,839 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:40:43,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:40:43,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:43,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:43,847 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:43,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:43,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:40:43,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:40:43,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:40:43,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:40:43,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:43,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:43,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:43,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:43,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:43,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:43,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:43,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:43,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:43,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:43,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:43,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:43,883 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:43,884 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:43,886 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:43,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:43,890 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:43,891 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:43,894 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:43,895 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:43,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:43,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:43,901 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:43,902 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:43,905 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:43,906 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:43,909 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:43,910 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:43,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:43,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:43,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:43,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:43,920 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:43,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:43,924 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:43,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:43,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:43,930 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:43,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:43,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:43,936 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:43,937 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:43,939 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:43,940 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:43,943 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:43,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:43,946 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:43,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:43,949 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:43,950 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:43,952 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:43,953 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:43,955 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:43,957 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:43,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:43,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:43,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:43,964 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:43,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:43,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:43,971 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:43,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:43,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:43,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:43,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:43,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:43,982 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:43,983 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:43,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:43,988 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:43,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:43,992 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:43,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:43,996 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:43,999 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:44,000 copying xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:44,003 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:40:44,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:40:44,008 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:40:44,009 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:40:44,012 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:44,013 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:44,015 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:40:44,016 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:40:44,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:40:44,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:40:44,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:40:44,023 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:40:44,025 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:40:44,026 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:40:44,028 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:44,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:44,032 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:44,033 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:44,036 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:44,037 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:44,040 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:40:44,042 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:40:44,044 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:44,045 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:44,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:40:44,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:40:44,050 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:40:44,051 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:40:44,054 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:40:44,055 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:40:44,058 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:40:44,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:40:44,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:40:44,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:40:44,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:40:44,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:40:44,071 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:40:44,072 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:40:44,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:40:44,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:40:44,080 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:44,081 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:44,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:40:44,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:40:44,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:44,091 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:44,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:40:44,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:40:44,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:40:44,099 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:40:44,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:40:44,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:40:44,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:40:44,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:40:44,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:40:44,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:40:44,113 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:44,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:44,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:44,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:44,122 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:40:44,124 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:40:44,127 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:44,128 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:44,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:44,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:44,136 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:44,138 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:44,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:44,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:44,146 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:40:44,147 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:40:44,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:40:44,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:40:44,155 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:44,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:44,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:40:44,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:40:44,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:40:44,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:40:44,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:40:44,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:40:44,171 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:40:44,172 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:40:44,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:44,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:44,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:44,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:44,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:40:44,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:40:44,187 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:40:44,188 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:40:44,191 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:44,192 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:44,195 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:40:44,196 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:40:44,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:40:44,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:40:44,204 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:44,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:44,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:40:44,210 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:40:44,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:40:44,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:40:44,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:40:44,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:40:44,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:40:44,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:40:44,226 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:40:44,227 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:40:44,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:44,232 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:44,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:44,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:44,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:44,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:44,244 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:40:44,245 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:40:44,248 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:40:44,249 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:40:44,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:40:44,254 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:40:44,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:40:44,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:40:44,261 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:40:44,262 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:40:44,264 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:40:44,265 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:40:44,267 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:40:44,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:40:44,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:40:44,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:40:44,274 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:44,275 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:44,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:44,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:44,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:44,283 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:44,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:40:44,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:40:44,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:40:44,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:40:44,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:44,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:44,296 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:40:44,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:40:44,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:44,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:44,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:44,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:44,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:40:44,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:40:44,309 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:44,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:44,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:40:44,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:40:44,316 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:40:44,317 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:40:44,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:40:44,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:40:44,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:40:44,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:40:44,326 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:40:44,327 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:40:44,329 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:40:44,330 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:40:44,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:40:44,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:40:44,335 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:40:44,336 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:40:44,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:40:44,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:40:44,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:40:44,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:40:44,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:40:44,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:40:44,348 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:44,349 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:44,351 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:40:44,352 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:40:44,354 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:40:44,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:40:44,357 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:40:44,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:40:44,360 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:44,361 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:44,363 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:40:44,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:40:44,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:40:44,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:40:44,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:40:44,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:40:44,372 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:40:44,373 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:40:44,375 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:44,376 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:44,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:40:44,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:40:44,381 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:44,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:44,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:44,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:44,388 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:44,389 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:44,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:44,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:44,394 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:44,395 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:44,397 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:44,398 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:44,400 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:44,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:44,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:44,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:44,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:44,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:44,410 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:44,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:44,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:44,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:44,418 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:44,419 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:44,421 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:44,422 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:44,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:44,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:44,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:44,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:44,430 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:44,431 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:44,433 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:44,434 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:44,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:44,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:44,439 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:44,440 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:44,442 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:44,443 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:44,445 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:44,446 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:44,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:44,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:44,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:44,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:44,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:44,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:44,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:44,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:44,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:44,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:44,465 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:44,466 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:44,469 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:44,470 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:44,473 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:44,474 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:44,476 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:44,477 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:44,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:44,480 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:44,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:44,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:44,485 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:44,486 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:44,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:44,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:44,492 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:44,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:44,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:44,496 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:44,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:44,500 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:44,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:44,503 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:44,505 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:44,506 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:44,508 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:44,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:44,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:44,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:44,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:44,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:44,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:44,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:44,524 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:44,526 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:44,529 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:44,530 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:44,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:44,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:44,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:44,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:44,540 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:44,541 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:44,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:44,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:44,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:44,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:44,549 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:44,550 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:44,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:44,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:44,556 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:44,557 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:44,560 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:44,561 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:44,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:44,565 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:44,568 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:44,569 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:44,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:44,573 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:44,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:44,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:44,579 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:44,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:44,583 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:44,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:44,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:44,588 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:44,590 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:44,591 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:44,594 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:44,594 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:44,597 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:44,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:44,601 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:44,602 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:44,604 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:44,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:44,608 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:44,609 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:44,611 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:44,612 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:44,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:44,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:44,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:44,621 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:44,623 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:44,624 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:44,627 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:44,628 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:44,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:44,631 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:44,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:44,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:44,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:44,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:44,641 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:44,642 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:44,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:44,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:44,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:44,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:44,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:44,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:44,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:44,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:44,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:44,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:44,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:44,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:44,668 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:44,669 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:44,672 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:44,673 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:44,676 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:44,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:44,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:44,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:44,684 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:44,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:44,688 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:44,689 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:44,691 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:44,692 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:44,695 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:44,697 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:44,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:44,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:44,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:44,705 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:44,708 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:44,709 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:44,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:44,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:44,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:44,717 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:44,719 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:44,720 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:44,723 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:44,724 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:44,727 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:44,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:44,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:44,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:44,735 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:44,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:44,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:44,741 copying xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:44,744 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:44,746 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:44,749 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:44,750 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:44,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:44,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:44,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:44,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:44,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:44,763 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:44,766 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:44,767 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:44,770 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:44,771 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:44,774 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:44,776 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:44,779 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:44,780 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:44,783 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:44,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:44,788 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:44,789 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:44,792 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:44,793 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:44,796 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:44,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:44,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:44,801 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:44,804 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:44,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:44,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:44,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:44,813 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:44,814 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:44,817 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:44,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:44,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:44,823 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:44,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:40:44,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:40:44,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:44,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:44,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:40:44,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:40:44,838 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:44,839 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:44,842 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:44,843 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:44,846 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:40:44,848 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:40:44,851 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:40:44,852 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:40:44,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:44,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:44,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:44,860 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:44,863 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:44,864 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:44,867 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:40:44,868 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:40:44,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:44,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:44,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:44,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:44,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:44,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:44,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:44,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:44,886 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:44,887 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:44,889 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:40:44,890 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:40:44,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:44,894 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:44,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:44,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:44,900 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:40:44,901 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:40:44,903 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:40:44,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:40:44,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:40:44,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:40:44,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:40:44,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:40:44,913 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:40:44,914 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:40:44,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:44,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:44,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:44,922 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:44,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:44,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:44,928 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:40:44,929 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:40:44,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:44,933 copying xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:44,935 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:40:44,936 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:40:44,939 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:40:44,940 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:40:44,942 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:40:44,943 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:40:44,946 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:40:44,947 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:40:44,950 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:40:44,951 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:40:44,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:40:44,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:40:44,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:40:44,957 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:40:44,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:40:44,961 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:40:44,963 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:40:44,964 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:40:44,967 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:40:44,968 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:40:44,971 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:40:44,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:40:44,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:40:44,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:40:44,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:40:44,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:40:44,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:40:44,984 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:40:44,987 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:40:44,988 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:40:44,991 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:40:44,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:40:44,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:40:44,997 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:40:45,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:40:45,001 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:40:45,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:40:45,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:40:45,008 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:40:45,010 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:40:45,013 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:40:45,014 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:40:45,017 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:40:45,018 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:40:45,021 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:40:45,022 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:40:45,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:45,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:45,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:40:45,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:40:45,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:40:45,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:40:45,037 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:45,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:45,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:40:45,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:40:45,046 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:40:45,048 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:40:45,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:40:45,052 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:40:45,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:40:45,056 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:40:45,059 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:40:45,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:40:45,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:45,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:45,067 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:45,068 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:45,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:40:45,071 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:40:45,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:45,075 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:45,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:45,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:45,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:40:45,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:40:45,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:40:45,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:40:45,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:40:45,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:40:45,090 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:40:45,091 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:40:45,094 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:40:45,095 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:40:45,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2026-02-10T11:40:45,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2026-02-10T11:40:45,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:45,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:45,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:40:45,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:40:45,108 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:45,109 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:45,111 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:40:45,113 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:40:45,115 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:45,117 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:45,119 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:40:45,121 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:40:45,123 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:40:45,124 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:40:45,126 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:40:45,127 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:40:45,130 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:40:45,131 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:40:45,133 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:40:45,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:40:45,137 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:45,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:45,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:40:45,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:40:45,144 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:40:45,145 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:40:45,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:40:45,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:40:45,152 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:40:45,153 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:40:45,156 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:40:45,157 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:40:45,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:40:45,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:40:45,164 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:40:45,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:40:45,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:45,169 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:45,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:45,173 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:45,176 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:40:45,177 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:40:45,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:40:45,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:40:45,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:40:45,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:40:45,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:40:45,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:40:45,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:40:45,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:40:45,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:45,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:45,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:40:45,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:40:45,200 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:40:45,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:40:45,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:40:45,204 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:40:45,207 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:40:45,208 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:40:45,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:40:45,211 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:40:45,213 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:40:45,214 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:40:45,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:40:45,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:40:45,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:40:45,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:40:45,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:40:45,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:40:45,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:40:45,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:40:45,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:45,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:45,236 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:40:45,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:40:45,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:40:45,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:40:45,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:40:45,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:40:45,248 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:40:45,249 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:40:45,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:45,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:45,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:40:45,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:40:45,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:40:45,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:40:45,262 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:45,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:45,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:40:45,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:40:45,270 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:40:45,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:40:45,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:45,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:45,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:40:45,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:40:45,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:40:45,283 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:40:45,286 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:45,287 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:45,290 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:45,291 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:45,293 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:40:45,294 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:40:45,296 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:40:45,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:40:45,300 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:40:45,301 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:40:45,304 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:40:45,306 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:40:45,308 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:40:45,309 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:40:45,312 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:40:45,313 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:40:45,315 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:40:45,316 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:40:45,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:40:45,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:40:45,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:45,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:45,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:45,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:45,329 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:40:45,330 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:40:45,333 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:40:45,334 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:40:45,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2026-02-10T11:40:45,338 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2026-02-10T11:40:45,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:40:45,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:40:45,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:40:45,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:40:45,349 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:40:45,350 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:40:45,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:45,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:45,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:40:45,357 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:40:45,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:40:45,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:40:45,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:40:45,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:40:45,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:40:45,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:40:45,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:40:45,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:40:45,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:40:45,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:40:45,376 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:40:45,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:40:45,380 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:45,381 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:45,383 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:40:45,384 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:40:45,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2026-02-10T11:40:45,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2026-02-10T11:40:45,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:40:45,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:40:45,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:40:45,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:40:45,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:40:45,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:40:45,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:40:45,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:40:45,405 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:40:45,406 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:40:45,409 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:40:45,410 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:40:45,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:45,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:45,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:40:45,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:40:45,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:40:45,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:40:45,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:40:45,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:40:45,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:40:45,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:40:45,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:40:45,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:40:45,435 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:40:45,436 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:40:45,438 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:40:45,439 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:40:45,441 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:45,442 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:45,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:45,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:45,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:45,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:45,451 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:45,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:45,455 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:40:45,456 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:40:45,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:40:45,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:40:45,463 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2026-02-10T11:40:45,464 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2026-02-10T11:40:45,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:40:45,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:40:45,470 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:40:45,471 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:40:45,474 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:40:45,475 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:40:45,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:40:45,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:40:45,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:40:45,481 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:40:45,484 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:40:45,485 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:40:45,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:40:45,489 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:40:45,491 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:40:45,493 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:40:45,495 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:40:45,496 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:40:45,499 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:40:45,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:40:45,503 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:40:45,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:40:45,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:40:45,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:40:45,511 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:40:45,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:40:45,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:40:45,516 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:40:45,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:40:45,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:40:45,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:45,524 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:45,526 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:45,527 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:45,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:40:45,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:40:45,534 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:45,535 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:45,538 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:40:45,539 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:40:45,542 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:40:45,543 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:40:45,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:45,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:45,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:40:45,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:40:45,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:40:45,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:40:45,558 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:40:45,560 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:40:45,562 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:40:45,564 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:40:45,567 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:40:45,568 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:40:45,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:40:45,572 copying xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:40:45,575 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:45,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:45,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:45,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:45,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:45,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:45,587 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:45,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:45,592 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:45,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:45,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:45,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:45,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:45,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:45,604 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:45,605 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:45,607 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:45,608 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:45,610 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:45,611 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:45,614 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:45,615 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:45,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:45,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:45,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:45,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:45,625 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:45,626 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:45,629 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:45,630 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:45,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:45,634 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:45,637 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:45,638 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:45,640 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:45,641 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:45,643 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:45,645 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:45,647 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:45,648 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:45,651 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:45,652 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:45,655 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:45,656 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:45,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:45,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:45,663 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:45,664 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:45,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:45,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:45,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:45,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:45,673 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:45,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:45,676 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:45,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:45,679 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:45,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:45,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:45,685 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:45,688 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:45,689 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:45,691 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:45,692 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:45,695 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:45,696 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:45,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:45,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:45,703 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:45,704 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:45,706 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:45,707 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:45,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:45,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:45,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:45,714 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:45,716 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:45,718 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:45,720 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:45,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:45,724 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:45,726 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:45,728 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:45,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:45,731 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:45,732 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:45,734 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:45,735 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:45,738 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:40:45,739 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:40:45,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:45,743 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:45,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:40:45,747 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:40:45,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:45,751 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:45,753 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:45,754 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:45,757 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:45,758 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:45,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:45,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:45,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:45,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:45,768 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:40:45,769 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:40:45,772 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:45,773 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:45,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:45,778 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:45,781 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:40:45,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:40:45,786 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:45,787 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:45,791 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:45,792 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:45,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:45,797 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:45,800 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:45,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:45,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:45,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:45,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:40:45,811 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:40:45,814 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:40:45,815 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:40:45,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:40:45,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:40:45,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:40:45,827 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:40:45,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:40:45,832 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:40:45,835 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:40:45,836 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:40:45,839 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:40:45,840 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:40:45,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:40:45,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:40:45,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:40:45,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:40:45,852 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:40:45,854 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:40:45,856 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:40:45,858 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:40:45,861 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:40:45,862 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:40:45,866 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:40:45,867 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:40:45,870 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:40:45,872 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:40:45,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:40:45,876 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:40:45,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:40:45,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:40:45,883 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:40:45,884 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:40:45,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:40:45,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:40:45,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:40:45,894 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:40:45,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:40:45,899 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:40:45,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:40:45,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:40:45,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:40:45,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:40:45,911 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:40:45,912 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:40:45,915 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:40:45,916 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:40:45,919 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:40:45,921 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:40:45,924 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:40:45,925 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:40:45,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:40:45,930 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:40:45,933 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:40:45,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:40:45,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:40:45,939 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:40:45,943 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:40:45,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:40:45,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:40:45,949 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:40:45,952 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:40:45,954 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:40:45,957 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:40:45,958 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:40:45,962 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:40:45,963 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:40:45,966 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:40:45,967 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:40:45,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:40:45,972 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:40:45,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:40:45,976 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:40:45,980 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:40:45,981 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:40:45,984 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:40:45,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:40:45,989 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:40:45,990 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:40:45,993 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:40:45,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:40:45,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:40:45,999 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:40:46,002 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:40:46,004 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:40:46,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:40:46,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:40:46,012 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:40:46,013 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:40:46,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:40:46,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:40:46,021 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:40:46,022 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:40:46,025 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:40:46,026 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:40:46,029 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:40:46,030 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:40:46,033 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:40:46,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:40:46,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:40:46,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:40:46,043 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:40:46,044 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:40:46,047 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:40:46,049 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:40:46,052 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:40:46,054 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:40:46,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:40:46,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:40:46,062 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:40:46,063 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:40:46,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:40:46,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:40:46,070 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:40:46,071 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:40:46,074 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:40:46,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:40:46,079 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:40:46,080 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:40:46,083 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:40:46,084 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:40:46,087 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:40:46,088 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:40:46,091 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:40:46,092 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:40:46,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:40:46,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:40:46,099 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:40:46,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:40:46,103 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:40:46,104 copying xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:40:46,107 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:46,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:46,113 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:46,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:46,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:46,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:46,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:46,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:46,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:46,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:46,129 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:46,131 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:46,134 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:46,135 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:46,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:46,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:46,142 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:46,143 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:46,146 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:46,147 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:46,150 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:46,151 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:46,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:46,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:46,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:46,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:46,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:46,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:46,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:46,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:46,171 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:46,172 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:46,175 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:46,176 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:46,179 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:46,180 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:46,183 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:40:46,184 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:40:46,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:46,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:46,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:40:46,191 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:40:46,193 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:40:46,194 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:40:46,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:40:46,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:40:46,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:40:46,200 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:40:46,202 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:40:46,203 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:40:46,206 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:40:46,207 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:40:46,210 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:40:46,211 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:40:46,214 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:40:46,215 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:40:46,217 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:40:46,218 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:40:46,221 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:40:46,222 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:40:46,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:46,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:46,227 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:40:46,228 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:40:46,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:40:46,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:40:46,234 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:40:46,235 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:40:46,238 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:40:46,239 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:40:46,242 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:46,243 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:46,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:46,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:46,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:40:46,250 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:40:46,252 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:40:46,253 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:40:46,256 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:46,257 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:46,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:40:46,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:40:46,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:40:46,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:40:46,266 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:40:46,267 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:40:46,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:40:46,270 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:40:46,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:40:46,274 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:40:46,277 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:40:46,278 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:40:46,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:46,282 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:46,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:40:46,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:40:46,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:40:46,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:40:46,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:40:46,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:40:46,295 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:40:46,296 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:40:46,298 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:46,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:46,302 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:40:46,303 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:40:46,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:40:46,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:40:46,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:40:46,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:40:46,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:40:46,314 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:40:46,316 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:46,317 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:46,319 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:40:46,320 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:40:46,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:40:46,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:40:46,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:40:46,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:40:46,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:46,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:46,332 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:40:46,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:40:46,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:40:46,338 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:40:46,338 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:46,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:46,342 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:40:46,343 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:40:46,346 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:40:46,347 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:40:46,350 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:40:46,351 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:40:46,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:40:46,355 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:40:46,357 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:40:46,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:40:46,360 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:40:46,361 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:40:46,363 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:40:46,364 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:40:46,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:40:46,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:40:46,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:40:46,371 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:40:46,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:40:46,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:40:46,376 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:40:46,377 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:40:46,379 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:40:46,380 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:40:46,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:40:46,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:40:46,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:40:46,386 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:40:46,389 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:46,390 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:46,392 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:40:46,393 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:40:46,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:40:46,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:40:46,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:40:46,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:40:46,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:46,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:46,404 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:40:46,405 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:40:46,407 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:40:46,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:40:46,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:40:46,412 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:40:46,414 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:40:46,415 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:40:46,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:40:46,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:40:46,420 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:46,421 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:46,424 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:40:46,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:40:46,427 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:40:46,428 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:40:46,431 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:46,432 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:46,434 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:40:46,435 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:40:46,437 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:40:46,438 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:40:46,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:46,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:46,443 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:40:46,444 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:40:46,446 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:40:46,447 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:40:46,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:40:46,451 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:40:46,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:46,454 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:46,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:40:46,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:40:46,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:40:46,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:40:46,462 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:40:46,463 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:40:46,466 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:40:46,467 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:40:46,470 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:46,471 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:46,474 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:40:46,475 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:40:46,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:40:46,478 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:40:46,480 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:40:46,481 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:40:46,483 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:40:46,484 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:40:46,486 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:46,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:46,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:40:46,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:40:46,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:40:46,494 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:40:46,496 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:40:46,497 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:40:46,500 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:40:46,501 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:40:46,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:40:46,505 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:40:46,508 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:40:46,509 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:40:46,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:46,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:46,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:40:46,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:40:46,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:40:46,521 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:40:46,524 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:40:46,525 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:40:46,527 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:46,528 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:46,530 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:40:46,531 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:40:46,533 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:46,534 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:46,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:46,536 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:46,539 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:40:46,540 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:40:46,543 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:40:46,544 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:40:46,546 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:40:46,547 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:40:46,550 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:40:46,551 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:40:46,553 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:40:46,554 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:40:46,557 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:40:46,558 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:40:46,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:40:46,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:40:46,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:40:46,565 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:40:46,567 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:40:46,568 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:40:46,571 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:40:46,572 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:40:46,574 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:46,575 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:46,577 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:40:46,579 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:40:46,581 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:40:46,582 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:40:46,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:46,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:46,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:40:46,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:40:46,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:40:46,592 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:40:46,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:40:46,596 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:40:46,599 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:46,600 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:46,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:40:46,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:40:46,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:40:46,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:40:46,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:40:46,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:40:46,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:40:46,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:40:46,615 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:40:46,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:40:46,618 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:46,619 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:46,622 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:46,623 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:46,626 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:46,627 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:46,629 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:40:46,630 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:40:46,633 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:46,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:46,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:40:46,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:40:46,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:40:46,643 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:40:46,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:46,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:46,652 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:40:46,653 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:40:46,656 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:40:46,657 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:40:46,659 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:46,660 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:46,662 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:40:46,663 copying xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:40:46,665 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:46,667 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:46,669 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:46,670 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:46,673 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:46,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:46,676 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:46,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:46,679 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:46,680 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:46,682 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:46,683 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:46,686 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:46,687 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:46,690 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:46,691 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:46,694 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:46,695 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:46,698 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:46,699 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:46,701 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:46,702 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:46,705 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:46,706 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:46,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:46,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:46,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:46,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:46,715 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:46,716 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:46,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:46,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:46,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:46,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:46,725 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:46,726 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:46,728 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:46,729 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:46,732 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:46,733 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:46,736 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:46,737 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:46,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:46,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:46,743 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:46,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:46,747 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:46,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:46,751 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:46,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:46,755 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:46,756 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:46,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:46,759 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:46,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:46,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:46,765 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:46,766 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:46,769 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:46,770 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:46,773 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:46,774 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:46,776 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:46,777 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:46,780 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:46,781 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:46,785 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:46,786 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:46,789 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:46,790 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:46,793 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:46,794 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:46,797 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:46,798 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:46,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:46,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:46,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:46,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:46,809 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:46,810 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:46,812 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:46,813 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:46,816 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:46,817 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:46,819 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:46,820 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:46,822 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:46,823 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:46,826 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:46,827 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:46,830 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:46,831 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:46,834 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:46,835 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:46,837 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:46,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:46,841 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:46,842 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:46,844 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:46,845 copying xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:46,848 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:40:46,849 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:40:46,852 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:40:46,853 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:40:46,855 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:40:46,856 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:40:46,859 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:40:46,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:40:46,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:40:46,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:40:46,868 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:40:46,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:40:46,871 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:40:46,873 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:40:46,875 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:40:46,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:40:46,880 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:40:46,881 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:40:46,884 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:40:46,885 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:40:46,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:40:46,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:40:46,893 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:40:46,894 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:40:46,897 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:40:46,898 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:40:46,902 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:40:46,903 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:40:46,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:40:46,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:40:46,912 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:40:46,913 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:40:46,917 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:40:46,918 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:40:46,921 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:40:46,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:40:46,925 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:40:46,926 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:40:46,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:40:46,931 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:40:46,934 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:40:46,935 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:40:46,938 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:40:46,940 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:40:46,943 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:40:46,944 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:40:46,947 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:40:46,948 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:40:46,951 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:40:46,952 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:40:46,955 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:40:46,956 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:40:46,960 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:40:46,962 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:40:46,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:40:46,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:40:46,970 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:40:46,971 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:40:46,974 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:40:46,975 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:40:46,978 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:40:46,979 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:40:46,982 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:40:46,983 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:40:46,985 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:40:46,986 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:40:46,988 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:40:46,989 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:40:46,992 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:40:46,993 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:40:46,995 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:40:46,995 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:40:46,998 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:40:46,999 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:40:47,001 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:40:47,002 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:40:47,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:40:47,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:40:47,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:40:47,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:40:47,011 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:40:47,012 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:40:47,015 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:40:47,016 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:40:47,019 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:40:47,020 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:40:47,022 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:40:47,023 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:40:47,026 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:40:47,027 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:40:47,030 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:40:47,031 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:40:47,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:40:47,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:40:47,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:40:47,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:40:47,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:40:47,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:40:47,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:40:47,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:40:47,049 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:40:47,050 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:40:47,053 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:40:47,054 copying xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:40:47,057 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:40:47,059 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:40:47,061 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:40:47,062 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:40:47,064 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:40:47,065 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:40:47,068 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:40:47,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:40:47,072 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:47,073 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:47,075 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:40:47,076 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:40:47,078 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:47,079 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:47,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:40:47,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:40:47,084 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:40:47,085 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:40:47,088 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:40:47,089 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:40:47,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:47,094 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:47,097 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:40:47,098 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:40:47,101 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:40:47,102 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:40:47,105 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:40:47,106 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:40:47,109 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:47,110 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:47,113 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:40:47,114 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:40:47,117 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:40:47,118 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:40:47,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:40:47,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:40:47,125 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:47,126 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:47,129 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:40:47,129 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:40:47,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:47,133 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:47,135 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:47,136 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:47,138 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:40:47,139 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:40:47,141 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:47,142 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:47,145 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:47,146 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:47,148 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:40:47,149 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:40:47,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:40:47,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:40:47,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:40:47,155 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:40:47,157 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:47,158 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:47,160 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:47,161 copying xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:47,163 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:40:47,165 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:40:47,168 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:40:47,169 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:40:47,172 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:40:47,174 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:40:47,177 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:40:47,178 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:40:47,181 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:40:47,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:40:47,185 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:40:47,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:40:47,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:40:47,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:40:47,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:40:47,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:40:47,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:40:47,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:40:47,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:40:47,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:40:47,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:40:47,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:40:47,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:40:47,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:40:47,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:40:47,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:40:47,216 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:47,217 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:47,220 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:47,221 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:47,224 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:47,225 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:47,228 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:40:47,229 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:40:47,232 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:40:47,233 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:40:47,235 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:47,236 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:47,239 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:40:47,240 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:40:47,243 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:47,244 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:47,247 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:40:47,248 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:40:47,251 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:40:47,252 copying xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:40:47,255 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:40:47,256 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:40:47,259 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:40:47,260 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:40:47,263 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:40:47,264 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:40:47,267 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:47,268 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:47,271 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:40:47,272 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:40:47,275 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:40:47,276 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:40:47,279 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:47,280 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:47,282 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:47,283 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:47,285 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:47,286 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:47,289 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:40:47,290 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:40:47,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:40:47,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:40:47,296 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:47,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:47,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:40:47,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:40:47,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:47,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:47,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:47,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:47,309 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:40:47,310 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:40:47,313 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:47,314 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:47,317 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:40:47,318 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:40:47,321 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:40:47,322 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:40:47,325 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:47,326 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:47,328 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:47,329 copying xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:47,331 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:47,333 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:47,336 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:47,337 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:47,340 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:47,341 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:47,344 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:47,345 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:47,348 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:47,349 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:47,353 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:47,354 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:47,357 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:47,358 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:47,361 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:47,362 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:47,365 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:47,366 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:47,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:47,370 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:47,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:47,375 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:47,378 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:47,379 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:47,382 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:47,383 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:47,386 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:47,387 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:47,390 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:47,391 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:47,393 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:47,395 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:47,398 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:47,399 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:47,401 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:47,402 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:47,405 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:47,406 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:47,409 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:47,411 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:47,413 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:47,414 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:47,417 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:47,418 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:47,421 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:47,423 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:47,425 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:47,426 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:47,429 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:47,430 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:47,432 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:47,433 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:47,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:47,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:47,441 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:47,442 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:47,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:47,445 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:47,448 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:47,449 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:47,452 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:47,453 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:47,456 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:47,457 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:47,459 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:47,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:47,463 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:47,465 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:47,467 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:47,468 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:47,471 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:47,472 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:47,475 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:47,476 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:47,478 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:47,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:47,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:47,483 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:47,485 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:47,487 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:47,489 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:47,490 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:47,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:47,495 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:47,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:47,498 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:47,501 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:47,502 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:47,504 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:47,506 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:47,509 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:47,510 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:47,512 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:47,513 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:47,516 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:47,517 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:47,520 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:47,522 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:47,524 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:47,526 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:47,528 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:47,529 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:47,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:47,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:47,536 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:47,537 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:47,540 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:47,541 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:47,544 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:47,545 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:47,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:47,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:47,551 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:47,552 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:47,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:40:47,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:40:47,558 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:47,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:47,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:40:47,562 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 2026-02-10T11:40:47,565 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:40:47,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:40:47,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:47,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:47,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:47,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:47,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:40:47,577 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:40:47,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:47,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:47,583 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:40:47,584 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 2026-02-10T11:40:47,586 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:47,587 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:47,589 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:40:47,590 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:40:47,593 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:47,594 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:47,596 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:47,597 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:47,600 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:47,601 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:47,603 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:47,604 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:47,606 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:47,607 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:47,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:47,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:47,612 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:47,613 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:47,616 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:40:47,616 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:40:47,619 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:47,620 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:47,622 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:47,623 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:47,626 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:40:47,627 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:40:47,630 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:47,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:47,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:47,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:47,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:47,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:47,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:40:47,643 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:40:47,645 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:47,646 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:47,648 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:47,649 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:47,651 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:47,652 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:47,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:47,656 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:47,658 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:47,659 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:47,661 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:47,662 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:47,664 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:47,665 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:47,667 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:47,668 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:47,670 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:47,671 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:47,673 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:40:47,674 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:40:47,677 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:47,677 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:47,680 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:47,681 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:47,683 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:47,684 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:47,687 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:40:47,688 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:40:47,691 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:40:47,692 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:40:47,695 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:47,696 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:47,699 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:47,700 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:47,702 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:47,703 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:47,705 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:40:47,706 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:40:47,709 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:47,710 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:47,712 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:47,713 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:47,715 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:47,716 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:47,718 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:40:47,719 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:40:47,721 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:47,722 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:47,725 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:40:47,727 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:40:47,729 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:47,731 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:47,734 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:40:47,736 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:40:47,739 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:40:47,740 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:40:47,742 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:40:47,744 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:40:47,746 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:40:47,748 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:40:47,750 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:40:47,752 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:40:47,754 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:40:47,755 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:40:47,758 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:40:47,759 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:40:47,761 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:40:47,762 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:40:47,764 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:40:47,765 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:40:47,767 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:40:47,768 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:40:47,771 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:40:47,772 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:40:47,774 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:40:47,775 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:40:47,778 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:40:47,779 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:40:47,781 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:40:47,782 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:40:47,784 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:40:47,785 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:40:47,788 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:40:47,789 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:40:47,791 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:40:47,792 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:40:47,795 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:40:47,796 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:40:47,798 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:40:47,799 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:40:47,801 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:40:47,802 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:40:47,805 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:40:47,806 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:40:47,808 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:40:47,809 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:40:47,811 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:40:47,812 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:40:47,815 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:40:47,816 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:40:47,818 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:40:47,819 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:40:47,821 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:40:47,822 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:40:47,825 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:40:47,826 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:40:47,829 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:40:47,830 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:40:47,832 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:40:47,833 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:40:47,836 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:40:47,838 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:40:47,840 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:40:47,841 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:40:47,843 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:40:47,844 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:40:47,846 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:40:47,847 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:40:47,850 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:40:47,851 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:40:47,853 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:40:47,855 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:40:47,857 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:40:47,858 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:40:47,860 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:40:47,861 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:40:47,864 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:40:47,865 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:40:47,868 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:40:47,869 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:40:47,872 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:40:47,873 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:40:47,876 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:40:47,877 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:40:47,879 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:40:47,880 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:40:47,882 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:40:47,883 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:40:47,885 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:40:47,886 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:40:47,888 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:40:47,889 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:40:47,892 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:40:47,893 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:40:47,896 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:40:47,897 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:40:47,900 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:40:47,901 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:40:47,903 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:40:47,904 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:40:47,907 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:40:47,908 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:40:47,910 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:40:47,911 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:40:47,914 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:40:47,915 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:40:47,918 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:40:47,919 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:40:47,922 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:40:47,923 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:40:47,926 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:40:47,927 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:40:47,929 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:40:47,930 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:40:47,932 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:40:47,934 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:40:47,936 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:40:47,937 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:40:47,940 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:40:47,941 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:40:47,944 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:40:47,946 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:40:47,949 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:40:47,950 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:40:47,953 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:40:47,953 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:40:47,956 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:40:47,956 copying xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:40:47,959 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:47,960 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:47,962 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:47,963 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:47,965 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:47,966 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:47,968 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:47,969 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:47,972 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:47,973 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:47,975 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:47,977 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:47,979 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:47,980 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:47,983 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:47,984 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:47,986 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:47,987 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:47,990 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:47,991 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:47,993 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:47,994 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:47,996 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:47,998 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:48,000 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:48,002 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:48,004 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:48,005 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:48,007 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:48,008 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:48,011 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:48,011 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:48,014 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:48,015 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:48,016 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:48,017 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:48,020 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:48,021 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:48,023 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:48,024 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:48,027 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:48,029 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:48,031 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:48,032 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:48,034 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:48,035 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:48,038 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:48,039 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:48,042 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:48,043 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:48,045 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:48,046 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:48,048 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:48,049 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:48,051 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:48,052 copying xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:48,055 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:48,057 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:48,060 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:48,061 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:48,063 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:48,064 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:48,066 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:48,067 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:48,069 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:48,070 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:48,073 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:48,074 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:48,077 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:48,078 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:48,081 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:48,082 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:48,085 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:48,086 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:48,089 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:48,090 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:48,092 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:48,093 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:48,095 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:48,096 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:48,098 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:48,100 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:48,102 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:48,103 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:48,106 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:48,107 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:48,110 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:48,111 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:48,114 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:48,115 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:48,118 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:48,119 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:48,121 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:48,122 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:48,124 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:48,125 copying xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:48,128 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:40:48,130 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:40:48,132 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:40:48,134 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:40:48,136 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:40:48,137 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:40:48,139 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:48,141 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:48,143 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:40:48,144 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:40:48,147 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:40:48,148 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:40:48,151 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:40:48,152 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:40:48,154 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:40:48,156 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:40:48,159 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:40:48,160 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:40:48,162 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:40:48,164 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:40:48,167 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:40:48,168 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:40:48,170 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:40:48,171 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:40:48,174 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:40:48,175 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:40:48,178 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:40:48,179 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:40:48,182 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:40:48,183 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:40:48,186 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:40:48,187 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:40:48,189 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:40:48,190 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:40:48,192 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:40:48,193 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:40:48,196 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:40:48,197 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:40:48,199 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:40:48,201 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:40:48,203 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:40:48,205 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:40:48,208 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:40:48,209 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:40:48,212 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:40:48,213 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:40:48,215 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:40:48,216 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:40:48,219 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:40:48,220 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:40:48,222 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:40:48,223 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:40:48,226 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:40:48,227 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:40:48,230 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:40:48,231 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:40:48,233 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:40:48,234 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:40:48,237 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:40:48,238 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:40:48,241 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:40:48,242 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:40:48,245 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:40:48,246 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:40:48,249 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:40:48,251 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:40:48,253 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:40:48,254 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:40:48,257 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:40:48,258 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:40:48,261 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:40:48,262 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:40:48,265 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:40:48,266 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:40:48,269 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:40:48,271 copying xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:40:48,273 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:40:48,275 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:40:48,278 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:48,279 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:48,281 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:40:48,281 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:40:48,284 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:48,285 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:48,288 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:48,289 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:48,292 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:40:48,293 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:40:48,296 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:48,297 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:48,299 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:40:48,300 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:40:48,303 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:40:48,304 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:40:48,306 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:48,307 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:48,310 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:40:48,311 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:40:48,314 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:40:48,315 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:40:48,318 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:40:48,319 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:40:48,322 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:40:48,323 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:40:48,326 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:40:48,327 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:40:48,330 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:48,331 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:48,334 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:48,335 copying xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:48,337 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:48,339 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:48,341 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:48,342 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:48,345 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:48,346 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:48,348 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:48,349 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:48,352 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:48,353 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:48,355 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:48,356 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:48,359 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:48,360 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:48,362 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:48,363 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:48,366 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:48,367 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:48,369 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:48,371 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:48,373 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:48,374 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:48,377 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:48,378 copying xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:48,380 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:40:48,382 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:40:48,384 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:40:48,385 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:40:48,387 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:40:48,388 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:40:48,391 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:40:48,392 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:40:48,395 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:40:48,396 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:40:48,399 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:40:48,400 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:40:48,403 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:40:48,404 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:40:48,406 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:40:48,408 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:40:48,411 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:40:48,412 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:40:48,415 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:40:48,416 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:40:48,419 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:40:48,420 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:40:48,423 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:40:48,425 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:40:48,428 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:40:48,429 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:40:48,432 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:40:48,433 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:40:48,436 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:40:48,437 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:40:48,440 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:40:48,441 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:40:48,444 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:40:48,446 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:40:48,449 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:40:48,450 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:40:48,453 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:40:48,455 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:40:48,458 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:40:48,460 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:40:48,463 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:40:48,464 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:40:48,468 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:40:48,469 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:40:48,473 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:40:48,474 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:40:48,477 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:40:48,479 copying xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:40:48,482 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:48,484 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:48,487 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:48,489 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:48,493 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:48,494 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:48,497 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:48,499 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:48,502 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:48,504 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:48,507 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:48,508 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:48,511 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:48,512 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:48,515 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:48,516 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:48,519 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:48,520 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:48,523 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:48,525 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:48,528 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:48,529 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:48,532 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:48,533 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:48,537 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:48,538 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:48,541 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:48,542 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:48,545 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:48,546 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:48,548 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:48,549 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:48,551 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:48,552 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:48,554 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:48,555 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:48,558 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:48,559 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:48,561 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:48,562 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:48,564 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:48,566 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:48,569 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:48,570 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:48,573 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:48,574 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:48,576 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:48,578 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:48,580 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:48,581 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:48,584 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:48,585 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:48,588 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:48,589 copying xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:48,591 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:40:48,593 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:40:48,595 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:48,596 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:48,598 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:48,599 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:48,602 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:40:48,603 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:40:48,605 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:40:48,606 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:40:48,609 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:48,610 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:48,613 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:40:48,614 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:40:48,617 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:40:48,618 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:40:48,621 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:48,622 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:48,625 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:40:48,626 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:40:48,628 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:48,629 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:48,631 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:40:48,632 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:40:48,634 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:48,635 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:48,638 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:48,639 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:48,642 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:48,643 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:48,646 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:48,647 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:48,650 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:48,651 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:48,654 creating build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:40:48,655 copying xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:40:48,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2026-02-10T11:40:48,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2026-02-10T11:40:48,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2026-02-10T11:40:48,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2026-02-10T11:40:48,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:48,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:48,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2026-02-10T11:40:48,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2026-02-10T11:40:48,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2026-02-10T11:40:48,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2026-02-10T11:40:48,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2026-02-10T11:40:48,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2026-02-10T11:40:48,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:48,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:48,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2026-02-10T11:40:48,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2026-02-10T11:40:48,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:48,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:48,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2026-02-10T11:40:48,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2026-02-10T11:40:48,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2026-02-10T11:40:48,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2026-02-10T11:40:48,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2026-02-10T11:40:48,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2026-02-10T11:40:48,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2026-02-10T11:40:48,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2026-02-10T11:40:48,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2026-02-10T11:40:48,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2026-02-10T11:40:48,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2026-02-10T11:40:48,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2026-02-10T11:40:48,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2026-02-10T11:40:48,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2026-02-10T11:40:48,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:48,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:48,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2026-02-10T11:40:48,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2026-02-10T11:40:48,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2026-02-10T11:40:48,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2026-02-10T11:40:48,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2026-02-10T11:40:48,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2026-02-10T11:40:48,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2026-02-10T11:40:48,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2026-02-10T11:40:48,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2026-02-10T11:40:48,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2026-02-10T11:40:48,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2026-02-10T11:40:48,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2026-02-10T11:40:48,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2026-02-10T11:40:48,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2026-02-10T11:40:48,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2026-02-10T11:40:48,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2026-02-10T11:40:48,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2026-02-10T11:40:48,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2026-02-10T11:40:48,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:48,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:48,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2026-02-10T11:40:48,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2026-02-10T11:40:48,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2026-02-10T11:40:48,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2026-02-10T11:40:48,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2026-02-10T11:40:48,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2026-02-10T11:40:48,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2026-02-10T11:40:48,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2026-02-10T11:40:48,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2026-02-10T11:40:48,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2026-02-10T11:40:48,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2026-02-10T11:40:48,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2026-02-10T11:40:48,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:48,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:48,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2026-02-10T11:40:48,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2026-02-10T11:40:48,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2026-02-10T11:40:48,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2026-02-10T11:40:48,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2026-02-10T11:40:48,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2026-02-10T11:40:48,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2026-02-10T11:40:48,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2026-02-10T11:40:48,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:48,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:48,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2026-02-10T11:40:48,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2026-02-10T11:40:48,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2026-02-10T11:40:48,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2026-02-10T11:40:48,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2026-02-10T11:40:48,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2026-02-10T11:40:48,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2026-02-10T11:40:48,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2026-02-10T11:40:48,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2026-02-10T11:40:48,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2026-02-10T11:40:48,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2026-02-10T11:40:48,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2026-02-10T11:40:48,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2026-02-10T11:40:48,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2026-02-10T11:40:48,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2026-02-10T11:40:48,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2026-02-10T11:40:48,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2026-02-10T11:40:48,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2026-02-10T11:40:48,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2026-02-10T11:40:48,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2026-02-10T11:40:48,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2026-02-10T11:40:48,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2026-02-10T11:40:48,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:48,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:48,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2026-02-10T11:40:48,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2026-02-10T11:40:48,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:48,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:48,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2026-02-10T11:40:48,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2026-02-10T11:40:48,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2026-02-10T11:40:48,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2026-02-10T11:40:48,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2026-02-10T11:40:48,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2026-02-10T11:40:48,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2026-02-10T11:40:48,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2026-02-10T11:40:48,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2026-02-10T11:40:48,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2026-02-10T11:40:48,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:48,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:48,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:48,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:48,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:48,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:48,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:48,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:48,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:48,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:48,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:48,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:48,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:48,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:48,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:48,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:48,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:48,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:48,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:48,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:48,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:48,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:48,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:48,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:48,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2026-02-10T11:40:48,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2026-02-10T11:40:48,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:48,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:48,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2026-02-10T11:40:48,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2026-02-10T11:40:48,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2026-02-10T11:40:48,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2026-02-10T11:40:48,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:48,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:48,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:48,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:48,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:48,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:48,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:48,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:48,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2026-02-10T11:40:48,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2026-02-10T11:40:48,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:48,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:48,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:48,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:48,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:48,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:48,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:48,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:48,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:48,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:48,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2026-02-10T11:40:48,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2026-02-10T11:40:48,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2026-02-10T11:40:48,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2026-02-10T11:40:48,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:48,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:48,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:48,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:48,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:48,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:48,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2026-02-10T11:40:48,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2026-02-10T11:40:48,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2026-02-10T11:40:48,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2026-02-10T11:40:48,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:48,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:48,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:48,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:48,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2026-02-10T11:40:48,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2026-02-10T11:40:48,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:48,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:48,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:48,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:48,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:49,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:49,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2026-02-10T11:40:49,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2026-02-10T11:40:49,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:49,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:49,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:49,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:49,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2026-02-10T11:40:49,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2026-02-10T11:40:49,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2026-02-10T11:40:49,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2026-02-10T11:40:49,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:49,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:49,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2026-02-10T11:40:49,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2026-02-10T11:40:49,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2026-02-10T11:40:49,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2026-02-10T11:40:49,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:49,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:49,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:49,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:49,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2026-02-10T11:40:49,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2026-02-10T11:40:49,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:49,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:49,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2026-02-10T11:40:49,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2026-02-10T11:40:49,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2026-02-10T11:40:49,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2026-02-10T11:40:49,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:49,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:49,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2026-02-10T11:40:49,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2026-02-10T11:40:49,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2026-02-10T11:40:49,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2026-02-10T11:40:49,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:49,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:49,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2026-02-10T11:40:49,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2026-02-10T11:40:49,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:49,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:49,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2026-02-10T11:40:49,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2026-02-10T11:40:49,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:49,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:49,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2026-02-10T11:40:49,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2026-02-10T11:40:49,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2026-02-10T11:40:49,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2026-02-10T11:40:49,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:49,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:49,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:49,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:49,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2026-02-10T11:40:49,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2026-02-10T11:40:49,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:49,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:49,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:40:49,101 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 2026-02-10T11:40:49,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:49,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:49,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:49,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:49,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:49,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:49,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2026-02-10T11:40:49,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2026-02-10T11:40:49,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:49,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:49,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2026-02-10T11:40:49,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2026-02-10T11:40:49,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:49,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:49,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2026-02-10T11:40:49,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2026-02-10T11:40:49,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:49,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:49,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2026-02-10T11:40:49,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2026-02-10T11:40:49,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:49,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:49,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:49,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:49,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2026-02-10T11:40:49,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2026-02-10T11:40:49,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:49,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:49,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2026-02-10T11:40:49,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2026-02-10T11:40:49,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:40:49,161 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 2026-02-10T11:40:49,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:49,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:49,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:49,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:49,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2026-02-10T11:40:49,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2026-02-10T11:40:49,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:49,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:49,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2026-02-10T11:40:49,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2026-02-10T11:40:49,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2026-02-10T11:40:49,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2026-02-10T11:40:49,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:49,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:49,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:49,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:49,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:49,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:49,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:49,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:49,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:49,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:49,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2026-02-10T11:40:49,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2026-02-10T11:40:49,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2026-02-10T11:40:49,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2026-02-10T11:40:49,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:49,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:49,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2026-02-10T11:40:49,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2026-02-10T11:40:49,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2026-02-10T11:40:49,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2026-02-10T11:40:49,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:49,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:49,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:49,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:49,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:49,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:49,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:49,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:49,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2026-02-10T11:40:49,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2026-02-10T11:40:49,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:49,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:49,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2026-02-10T11:40:49,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2026-02-10T11:40:49,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:49,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:49,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:49,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:49,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:49,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:49,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:49,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:49,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:49,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:49,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:49,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:49,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:49,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:49,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2026-02-10T11:40:49,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2026-02-10T11:40:49,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2026-02-10T11:40:49,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2026-02-10T11:40:49,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:49,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:49,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2026-02-10T11:40:49,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2026-02-10T11:40:49,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:49,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:49,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:49,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:49,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:49,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:49,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:49,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:49,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2026-02-10T11:40:49,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2026-02-10T11:40:49,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2026-02-10T11:40:49,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2026-02-10T11:40:49,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:49,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:49,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:49,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:49,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2026-02-10T11:40:49,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2026-02-10T11:40:49,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:49,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:49,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:49,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:49,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:49,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:49,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2026-02-10T11:40:49,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2026-02-10T11:40:49,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:49,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:49,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:49,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:49,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:49,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:49,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2026-02-10T11:40:49,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2026-02-10T11:40:49,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:49,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:49,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:49,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:49,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2026-02-10T11:40:49,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2026-02-10T11:40:49,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2026-02-10T11:40:49,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2026-02-10T11:40:49,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2026-02-10T11:40:49,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2026-02-10T11:40:49,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2026-02-10T11:40:49,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2026-02-10T11:40:49,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2026-02-10T11:40:49,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2026-02-10T11:40:49,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:49,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:49,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:49,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:49,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:49,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:49,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:49,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:49,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:49,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:49,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:49,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:49,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2026-02-10T11:40:49,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2026-02-10T11:40:49,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2026-02-10T11:40:49,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2026-02-10T11:40:49,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2026-02-10T11:40:49,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2026-02-10T11:40:49,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2026-02-10T11:40:49,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2026-02-10T11:40:49,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2026-02-10T11:40:49,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2026-02-10T11:40:49,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2026-02-10T11:40:49,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2026-02-10T11:40:49,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2026-02-10T11:40:49,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2026-02-10T11:40:49,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2026-02-10T11:40:49,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2026-02-10T11:40:49,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:49,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:49,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:49,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:49,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2026-02-10T11:40:49,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2026-02-10T11:40:49,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:49,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:49,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:49,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:49,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:49,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:49,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2026-02-10T11:40:49,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2026-02-10T11:40:49,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:49,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:49,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2026-02-10T11:40:49,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2026-02-10T11:40:49,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:49,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:49,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2026-02-10T11:40:49,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2026-02-10T11:40:49,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:49,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:49,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:49,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:49,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:49,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:49,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2026-02-10T11:40:49,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2026-02-10T11:40:49,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2026-02-10T11:40:49,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2026-02-10T11:40:49,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:49,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:49,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2026-02-10T11:40:49,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2026-02-10T11:40:49,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2026-02-10T11:40:49,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2026-02-10T11:40:49,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:49,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:49,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:49,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:49,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:49,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:49,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2026-02-10T11:40:49,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2026-02-10T11:40:49,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2026-02-10T11:40:49,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2026-02-10T11:40:49,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:49,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:49,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2026-02-10T11:40:49,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2026-02-10T11:40:49,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2026-02-10T11:40:49,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2026-02-10T11:40:49,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2026-02-10T11:40:49,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2026-02-10T11:40:49,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2026-02-10T11:40:49,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2026-02-10T11:40:49,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2026-02-10T11:40:49,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2026-02-10T11:40:49,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2026-02-10T11:40:49,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2026-02-10T11:40:49,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2026-02-10T11:40:49,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2026-02-10T11:40:49,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2026-02-10T11:40:49,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2026-02-10T11:40:49,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2026-02-10T11:40:49,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2026-02-10T11:40:49,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2026-02-10T11:40:49,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2026-02-10T11:40:49,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2026-02-10T11:40:49,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2026-02-10T11:40:49,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2026-02-10T11:40:49,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2026-02-10T11:40:49,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2026-02-10T11:40:49,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2026-02-10T11:40:49,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2026-02-10T11:40:49,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2026-02-10T11:40:49,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2026-02-10T11:40:49,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2026-02-10T11:40:49,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2026-02-10T11:40:49,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2026-02-10T11:40:49,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2026-02-10T11:40:49,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2026-02-10T11:40:49,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2026-02-10T11:40:49,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2026-02-10T11:40:49,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2026-02-10T11:40:49,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2026-02-10T11:40:49,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2026-02-10T11:40:49,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2026-02-10T11:40:49,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2026-02-10T11:40:49,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2026-02-10T11:40:49,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2026-02-10T11:40:49,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2026-02-10T11:40:49,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2026-02-10T11:40:49,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2026-02-10T11:40:49,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2026-02-10T11:40:49,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2026-02-10T11:40:49,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2026-02-10T11:40:49,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2026-02-10T11:40:49,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2026-02-10T11:40:49,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2026-02-10T11:40:49,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2026-02-10T11:40:49,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2026-02-10T11:40:49,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2026-02-10T11:40:49,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2026-02-10T11:40:49,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2026-02-10T11:40:49,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2026-02-10T11:40:49,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2026-02-10T11:40:49,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2026-02-10T11:40:49,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2026-02-10T11:40:49,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2026-02-10T11:40:49,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2026-02-10T11:40:49,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2026-02-10T11:40:49,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2026-02-10T11:40:49,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2026-02-10T11:40:49,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2026-02-10T11:40:49,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2026-02-10T11:40:49,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2026-02-10T11:40:49,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2026-02-10T11:40:49,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2026-02-10T11:40:49,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2026-02-10T11:40:49,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2026-02-10T11:40:49,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2026-02-10T11:40:49,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2026-02-10T11:40:49,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2026-02-10T11:40:49,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2026-02-10T11:40:49,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2026-02-10T11:40:49,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2026-02-10T11:40:49,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2026-02-10T11:40:49,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2026-02-10T11:40:49,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2026-02-10T11:40:49,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2026-02-10T11:40:49,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2026-02-10T11:40:49,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2026-02-10T11:40:49,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2026-02-10T11:40:49,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2026-02-10T11:40:49,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2026-02-10T11:40:49,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2026-02-10T11:40:49,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2026-02-10T11:40:49,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2026-02-10T11:40:49,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2026-02-10T11:40:49,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2026-02-10T11:40:49,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2026-02-10T11:40:49,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:49,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:40:49,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:49,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2026-02-10T11:40:49,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:49,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:40:49,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:49,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:40:49,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:49,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:40:49,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:49,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:40:49,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:49,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:40:49,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:49,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:40:49,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:49,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:40:49,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:49,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:40:49,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:49,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:40:49,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:49,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:40:49,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:49,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:40:49,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:49,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:40:49,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:49,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:40:49,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:49,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:40:49,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:49,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:40:49,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:49,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:40:49,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:49,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:40:49,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:49,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:40:49,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:49,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:40:49,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:49,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:40:49,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:49,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2026-02-10T11:40:49,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:49,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:40:49,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:49,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:40:49,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:49,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:40:49,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:49,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:40:49,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:49,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:40:49,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:49,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:40:49,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:49,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2026-02-10T11:40:49,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:49,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:40:49,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:49,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2026-02-10T11:40:49,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:49,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:40:49,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:49,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2026-02-10T11:40:49,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:49,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2026-02-10T11:40:49,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:49,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:40:49,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:49,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:40:49,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:49,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:40:49,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:49,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2026-02-10T11:40:49,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:49,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:40:49,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:49,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:40:49,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:49,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2026-02-10T11:40:49,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:49,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:40:49,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2026-02-10T11:40:49,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2026-02-10T11:40:49,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2026-02-10T11:40:49,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2026-02-10T11:40:49,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:49,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:40:49,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:49,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2026-02-10T11:40:49,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:49,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2026-02-10T11:40:49,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:49,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:40:49,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:49,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:40:49,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:49,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2026-02-10T11:40:49,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:49,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:40:49,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:49,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:40:49,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:40:49,895 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 2026-02-10T11:40:49,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:49,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:40:49,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:40:49,902 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 2026-02-10T11:40:49,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:40:49,905 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 2026-02-10T11:40:49,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:40:49,909 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 2026-02-10T11:40:49,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:40:49,912 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 2026-02-10T11:40:49,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:49,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:40:49,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:49,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:40:49,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2026-02-10T11:40:49,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2026-02-10T11:40:49,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:40:49,926 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 2026-02-10T11:40:49,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:49,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:40:49,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:40:49,932 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 2026-02-10T11:40:49,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2026-02-10T11:40:49,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2026-02-10T11:40:49,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:40:49,940 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 2026-02-10T11:40:49,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:40:49,943 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 2026-02-10T11:40:49,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:49,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:40:49,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:40:49,950 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 2026-02-10T11:40:49,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:40:49,953 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 2026-02-10T11:40:49,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:49,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2026-02-10T11:40:49,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:40:49,962 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 2026-02-10T11:40:49,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:40:49,965 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 2026-02-10T11:40:49,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:49,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:40:49,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:49,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:40:49,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:49,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:40:49,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2026-02-10T11:40:49,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2026-02-10T11:40:49,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:49,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:40:49,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:49,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:40:49,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:40:49,992 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 2026-02-10T11:40:49,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:49,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:40:49,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:50,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:40:50,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:50,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:40:50,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:40:50,009 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 2026-02-10T11:40:50,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:50,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:40:50,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:50,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:40:50,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:50,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:40:50,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:50,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:40:50,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:40:50,032 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 2026-02-10T11:40:50,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:40:50,036 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 2026-02-10T11:40:50,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:40:50,040 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 2026-02-10T11:40:50,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:50,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:40:50,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2026-02-10T11:40:50,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2026-02-10T11:40:50,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:50,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2026-02-10T11:40:50,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:50,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:40:50,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2026-02-10T11:40:50,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2026-02-10T11:40:50,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:40:50,068 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 2026-02-10T11:40:50,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2026-02-10T11:40:50,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2026-02-10T11:40:50,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:50,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:40:50,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:50,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:40:50,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:50,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:40:50,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:40:50,088 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 2026-02-10T11:40:50,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:50,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:40:50,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:50,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:40:50,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:50,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:40:50,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:50,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:40:50,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:40:50,109 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 2026-02-10T11:40:50,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2026-02-10T11:40:50,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2026-02-10T11:40:50,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:50,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:40:50,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:40:50,121 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 2026-02-10T11:40:50,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:50,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:40:50,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2026-02-10T11:40:50,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2026-02-10T11:40:50,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:40:50,132 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 2026-02-10T11:40:50,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:40:50,136 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 2026-02-10T11:40:50,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:50,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:40:50,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:40:50,144 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 2026-02-10T11:40:50,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:40:50,148 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 2026-02-10T11:40:50,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:40:50,151 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 2026-02-10T11:40:50,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:40:50,155 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 2026-02-10T11:40:50,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:50,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:40:50,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:40:50,164 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 2026-02-10T11:40:50,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:40:50,168 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 2026-02-10T11:40:50,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:50,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:40:50,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:50,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:40:50,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:40:50,180 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 2026-02-10T11:40:50,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:50,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:40:50,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:40:50,188 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 2026-02-10T11:40:50,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:40:50,192 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 2026-02-10T11:40:50,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:40:50,196 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 2026-02-10T11:40:50,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:40:50,199 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 2026-02-10T11:40:50,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:50,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:40:50,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:40:50,205 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 2026-02-10T11:40:50,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:50,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:40:50,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:50,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:40:50,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:40:50,217 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 2026-02-10T11:40:50,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:40:50,221 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 2026-02-10T11:40:50,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:50,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2026-02-10T11:40:50,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:50,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:40:50,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:50,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:40:50,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:50,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:40:50,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2026-02-10T11:40:50,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2026-02-10T11:40:50,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:40:50,241 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 2026-02-10T11:40:50,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:40:50,244 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 2026-02-10T11:40:50,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2026-02-10T11:40:50,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2026-02-10T11:40:50,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:40:50,251 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 2026-02-10T11:40:50,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2026-02-10T11:40:50,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2026-02-10T11:40:50,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:50,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:40:50,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:50,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2026-02-10T11:40:50,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:50,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:40:50,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2026-02-10T11:40:50,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2026-02-10T11:40:50,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:40:50,272 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 2026-02-10T11:40:50,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:50,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2026-02-10T11:40:50,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:50,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2026-02-10T11:40:50,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:50,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:40:50,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:50,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:40:50,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:50,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:40:50,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:50,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:40:50,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:50,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2026-02-10T11:40:50,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:50,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:40:50,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:50,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:40:50,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:50,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:40:50,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:50,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:40:50,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:50,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:40:50,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:50,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:40:50,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:50,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2026-02-10T11:40:50,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:50,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:40:50,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:50,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:40:50,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:50,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:40:50,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:50,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:40:50,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:50,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:40:50,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:50,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:40:50,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:50,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:40:50,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:50,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2026-02-10T11:40:50,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:50,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2026-02-10T11:40:50,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:50,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2026-02-10T11:40:50,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:50,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:40:50,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:50,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:40:50,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:50,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:40:50,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:50,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2026-02-10T11:40:50,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:50,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2026-02-10T11:40:50,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:50,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:40:50,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:50,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:40:50,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:50,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:40:50,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:50,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2026-02-10T11:40:50,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:50,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:40:50,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:50,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2026-02-10T11:40:50,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:50,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:40:50,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:50,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:40:50,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:50,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2026-02-10T11:40:50,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:50,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2026-02-10T11:40:50,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:50,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2026-02-10T11:40:50,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:50,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:40:50,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2026-02-10T11:40:50,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2026-02-10T11:40:50,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2026-02-10T11:40:50,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2026-02-10T11:40:50,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2026-02-10T11:40:50,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2026-02-10T11:40:50,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2026-02-10T11:40:50,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2026-02-10T11:40:50,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2026-02-10T11:40:50,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2026-02-10T11:40:50,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2026-02-10T11:40:50,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2026-02-10T11:40:50,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2026-02-10T11:40:50,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2026-02-10T11:40:50,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2026-02-10T11:40:50,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2026-02-10T11:40:50,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2026-02-10T11:40:50,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2026-02-10T11:40:50,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2026-02-10T11:40:50,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2026-02-10T11:40:50,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2026-02-10T11:40:50,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2026-02-10T11:40:50,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2026-02-10T11:40:50,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2026-02-10T11:40:50,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2026-02-10T11:40:50,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2026-02-10T11:40:50,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2026-02-10T11:40:50,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2026-02-10T11:40:50,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2026-02-10T11:40:50,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2026-02-10T11:40:50,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2026-02-10T11:40:50,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2026-02-10T11:40:50,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2026-02-10T11:40:50,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2026-02-10T11:40:50,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2026-02-10T11:40:50,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2026-02-10T11:40:50,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2026-02-10T11:40:50,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2026-02-10T11:40:50,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2026-02-10T11:40:50,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2026-02-10T11:40:50,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2026-02-10T11:40:50,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2026-02-10T11:40:50,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2026-02-10T11:40:50,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2026-02-10T11:40:50,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2026-02-10T11:40:50,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2026-02-10T11:40:50,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2026-02-10T11:40:50,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2026-02-10T11:40:50,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2026-02-10T11:40:50,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2026-02-10T11:40:50,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2026-02-10T11:40:50,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2026-02-10T11:40:50,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2026-02-10T11:40:50,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2026-02-10T11:40:50,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2026-02-10T11:40:50,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2026-02-10T11:40:50,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2026-02-10T11:40:50,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2026-02-10T11:40:50,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2026-02-10T11:40:50,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2026-02-10T11:40:50,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2026-02-10T11:40:50,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2026-02-10T11:40:50,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2026-02-10T11:40:50,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2026-02-10T11:40:50,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2026-02-10T11:40:50,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2026-02-10T11:40:50,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2026-02-10T11:40:50,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2026-02-10T11:40:50,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2026-02-10T11:40:50,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2026-02-10T11:40:50,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2026-02-10T11:40:50,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2026-02-10T11:40:50,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2026-02-10T11:40:50,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2026-02-10T11:40:50,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2026-02-10T11:40:50,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2026-02-10T11:40:50,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2026-02-10T11:40:50,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2026-02-10T11:40:50,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2026-02-10T11:40:50,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2026-02-10T11:40:50,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2026-02-10T11:40:50,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2026-02-10T11:40:50,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2026-02-10T11:40:50,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2026-02-10T11:40:50,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2026-02-10T11:40:50,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2026-02-10T11:40:50,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2026-02-10T11:40:50,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2026-02-10T11:40:50,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2026-02-10T11:40:50,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2026-02-10T11:40:50,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2026-02-10T11:40:50,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2026-02-10T11:40:50,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2026-02-10T11:40:50,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2026-02-10T11:40:50,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2026-02-10T11:40:50,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2026-02-10T11:40:50,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2026-02-10T11:40:50,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2026-02-10T11:40:50,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2026-02-10T11:40:50,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2026-02-10T11:40:50,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2026-02-10T11:40:50,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2026-02-10T11:40:50,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2026-02-10T11:40:50,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2026-02-10T11:40:50,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2026-02-10T11:40:50,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2026-02-10T11:40:50,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:50,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:40:50,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2026-02-10T11:40:50,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2026-02-10T11:40:50,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2026-02-10T11:40:50,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2026-02-10T11:40:50,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:50,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:40:50,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2026-02-10T11:40:50,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2026-02-10T11:40:50,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2026-02-10T11:40:50,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2026-02-10T11:40:50,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2026-02-10T11:40:50,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2026-02-10T11:40:50,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2026-02-10T11:40:50,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2026-02-10T11:40:50,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2026-02-10T11:40:50,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2026-02-10T11:40:50,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2026-02-10T11:40:50,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2026-02-10T11:40:50,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:50,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:40:50,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2026-02-10T11:40:50,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2026-02-10T11:40:50,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2026-02-10T11:40:50,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2026-02-10T11:40:50,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2026-02-10T11:40:50,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2026-02-10T11:40:50,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2026-02-10T11:40:50,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2026-02-10T11:40:50,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2026-02-10T11:40:50,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2026-02-10T11:40:50,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2026-02-10T11:40:50,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2026-02-10T11:40:50,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2026-02-10T11:40:50,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2026-02-10T11:40:50,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:50,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:40:50,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2026-02-10T11:40:50,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2026-02-10T11:40:50,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2026-02-10T11:40:50,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2026-02-10T11:40:50,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2026-02-10T11:40:50,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2026-02-10T11:40:50,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2026-02-10T11:40:50,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2026-02-10T11:40:50,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2026-02-10T11:40:50,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2026-02-10T11:40:50,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2026-02-10T11:40:50,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2026-02-10T11:40:50,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2026-02-10T11:40:50,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2026-02-10T11:40:50,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2026-02-10T11:40:50,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2026-02-10T11:40:50,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2026-02-10T11:40:50,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2026-02-10T11:40:50,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2026-02-10T11:40:50,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2026-02-10T11:40:50,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2026-02-10T11:40:50,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2026-02-10T11:40:50,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2026-02-10T11:40:50,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2026-02-10T11:40:50,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2026-02-10T11:40:50,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2026-02-10T11:40:50,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2026-02-10T11:40:50,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2026-02-10T11:40:50,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2026-02-10T11:40:50,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2026-02-10T11:40:50,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2026-02-10T11:40:50,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2026-02-10T11:40:50,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2026-02-10T11:40:50,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2026-02-10T11:40:50,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2026-02-10T11:40:50,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2026-02-10T11:40:50,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2026-02-10T11:40:50,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2026-02-10T11:40:50,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2026-02-10T11:40:50,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2026-02-10T11:40:50,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2026-02-10T11:40:50,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2026-02-10T11:40:50,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2026-02-10T11:40:50,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2026-02-10T11:40:50,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2026-02-10T11:40:50,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2026-02-10T11:40:50,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2026-02-10T11:40:50,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2026-02-10T11:40:50,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2026-02-10T11:40:50,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2026-02-10T11:40:50,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2026-02-10T11:40:50,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2026-02-10T11:40:50,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2026-02-10T11:40:50,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2026-02-10T11:40:50,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2026-02-10T11:40:50,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2026-02-10T11:40:50,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2026-02-10T11:40:50,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2026-02-10T11:40:50,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2026-02-10T11:40:50,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2026-02-10T11:40:50,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2026-02-10T11:40:50,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2026-02-10T11:40:50,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2026-02-10T11:40:50,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2026-02-10T11:40:50,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2026-02-10T11:40:50,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2026-02-10T11:40:50,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2026-02-10T11:40:50,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2026-02-10T11:40:50,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2026-02-10T11:40:50,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2026-02-10T11:40:50,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2026-02-10T11:40:50,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2026-02-10T11:40:50,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2026-02-10T11:40:50,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2026-02-10T11:40:50,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2026-02-10T11:40:50,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2026-02-10T11:40:50,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2026-02-10T11:40:50,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2026-02-10T11:40:50,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2026-02-10T11:40:50,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2026-02-10T11:40:50,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2026-02-10T11:40:50,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2026-02-10T11:40:50,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2026-02-10T11:40:50,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2026-02-10T11:40:50,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2026-02-10T11:40:50,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2026-02-10T11:40:50,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2026-02-10T11:40:50,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2026-02-10T11:40:50,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2026-02-10T11:40:50,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2026-02-10T11:40:50,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2026-02-10T11:40:50,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2026-02-10T11:40:50,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2026-02-10T11:40:50,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2026-02-10T11:40:50,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2026-02-10T11:40:50,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2026-02-10T11:40:50,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2026-02-10T11:40:50,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2026-02-10T11:40:50,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2026-02-10T11:40:50,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2026-02-10T11:40:50,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2026-02-10T11:40:50,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2026-02-10T11:40:50,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2026-02-10T11:40:50,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2026-02-10T11:40:50,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2026-02-10T11:40:50,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2026-02-10T11:40:50,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2026-02-10T11:40:50,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2026-02-10T11:40:50,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2026-02-10T11:40:50,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2026-02-10T11:40:50,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2026-02-10T11:40:50,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2026-02-10T11:40:50,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2026-02-10T11:40:50,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2026-02-10T11:40:50,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2026-02-10T11:40:50,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2026-02-10T11:40:50,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2026-02-10T11:40:50,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2026-02-10T11:40:50,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2026-02-10T11:40:50,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2026-02-10T11:40:50,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2026-02-10T11:40:50,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2026-02-10T11:40:50,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2026-02-10T11:40:50,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2026-02-10T11:40:50,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2026-02-10T11:40:50,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2026-02-10T11:40:50,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2026-02-10T11:40:50,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2026-02-10T11:40:50,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2026-02-10T11:40:50,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2026-02-10T11:40:50,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2026-02-10T11:40:50,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2026-02-10T11:40:50,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2026-02-10T11:40:50,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2026-02-10T11:40:50,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2026-02-10T11:40:50,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2026-02-10T11:40:50,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2026-02-10T11:40:50,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2026-02-10T11:40:50,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2026-02-10T11:40:50,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2026-02-10T11:40:50,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2026-02-10T11:40:50,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2026-02-10T11:40:50,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2026-02-10T11:40:50,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2026-02-10T11:40:50,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2026-02-10T11:40:50,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2026-02-10T11:40:50,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2026-02-10T11:40:50,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2026-02-10T11:40:50,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2026-02-10T11:40:50,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2026-02-10T11:40:51,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2026-02-10T11:40:51,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2026-02-10T11:40:51,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2026-02-10T11:40:51,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2026-02-10T11:40:51,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2026-02-10T11:40:51,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2026-02-10T11:40:51,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2026-02-10T11:40:51,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2026-02-10T11:40:51,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2026-02-10T11:40:51,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2026-02-10T11:40:51,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2026-02-10T11:40:51,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2026-02-10T11:40:51,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2026-02-10T11:40:51,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2026-02-10T11:40:51,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2026-02-10T11:40:51,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2026-02-10T11:40:51,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2026-02-10T11:40:51,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2026-02-10T11:40:51,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2026-02-10T11:40:51,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2026-02-10T11:40:51,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2026-02-10T11:40:51,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2026-02-10T11:40:51,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2026-02-10T11:40:51,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2026-02-10T11:40:51,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2026-02-10T11:40:51,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2026-02-10T11:40:51,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2026-02-10T11:40:51,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2026-02-10T11:40:51,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2026-02-10T11:40:51,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2026-02-10T11:40:51,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2026-02-10T11:40:51,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2026-02-10T11:40:51,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2026-02-10T11:40:51,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2026-02-10T11:40:51,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2026-02-10T11:40:51,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2026-02-10T11:40:51,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2026-02-10T11:40:51,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2026-02-10T11:40:51,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2026-02-10T11:40:51,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2026-02-10T11:40:51,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2026-02-10T11:40:51,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2026-02-10T11:40:51,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2026-02-10T11:40:51,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2026-02-10T11:40:51,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2026-02-10T11:40:51,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2026-02-10T11:40:51,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2026-02-10T11:40:51,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2026-02-10T11:40:51,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2026-02-10T11:40:51,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2026-02-10T11:40:51,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2026-02-10T11:40:51,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2026-02-10T11:40:51,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2026-02-10T11:40:51,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2026-02-10T11:40:51,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2026-02-10T11:40:51,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2026-02-10T11:40:51,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2026-02-10T11:40:51,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2026-02-10T11:40:51,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2026-02-10T11:40:51,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2026-02-10T11:40:51,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2026-02-10T11:40:51,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2026-02-10T11:40:51,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2026-02-10T11:40:51,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2026-02-10T11:40:51,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2026-02-10T11:40:51,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2026-02-10T11:40:51,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2026-02-10T11:40:51,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2026-02-10T11:40:51,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2026-02-10T11:40:51,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2026-02-10T11:40:51,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2026-02-10T11:40:51,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2026-02-10T11:40:51,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2026-02-10T11:40:51,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2026-02-10T11:40:51,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2026-02-10T11:40:51,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2026-02-10T11:40:51,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2026-02-10T11:40:51,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2026-02-10T11:40:51,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2026-02-10T11:40:51,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2026-02-10T11:40:51,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2026-02-10T11:40:51,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2026-02-10T11:40:51,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2026-02-10T11:40:51,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2026-02-10T11:40:51,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2026-02-10T11:40:51,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2026-02-10T11:40:51,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2026-02-10T11:40:51,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2026-02-10T11:40:51,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2026-02-10T11:40:51,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2026-02-10T11:40:51,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2026-02-10T11:40:51,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2026-02-10T11:40:51,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2026-02-10T11:40:51,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2026-02-10T11:40:51,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2026-02-10T11:40:51,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2026-02-10T11:40:51,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2026-02-10T11:40:51,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2026-02-10T11:40:51,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2026-02-10T11:40:51,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2026-02-10T11:40:51,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2026-02-10T11:40:51,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2026-02-10T11:40:51,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2026-02-10T11:40:51,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2026-02-10T11:40:51,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2026-02-10T11:40:51,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2026-02-10T11:40:51,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2026-02-10T11:40:51,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2026-02-10T11:40:51,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2026-02-10T11:40:51,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2026-02-10T11:40:51,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2026-02-10T11:40:51,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2026-02-10T11:40:51,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2026-02-10T11:40:51,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2026-02-10T11:40:51,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2026-02-10T11:40:51,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2026-02-10T11:40:51,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2026-02-10T11:40:51,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2026-02-10T11:40:51,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2026-02-10T11:40:51,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2026-02-10T11:40:51,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2026-02-10T11:40:51,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2026-02-10T11:40:51,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2026-02-10T11:40:51,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2026-02-10T11:40:51,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2026-02-10T11:40:51,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2026-02-10T11:40:51,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2026-02-10T11:40:51,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2026-02-10T11:40:51,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2026-02-10T11:40:51,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2026-02-10T11:40:51,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2026-02-10T11:40:51,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2026-02-10T11:40:51,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2026-02-10T11:40:51,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2026-02-10T11:40:51,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2026-02-10T11:40:51,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2026-02-10T11:40:51,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2026-02-10T11:40:51,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2026-02-10T11:40:51,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2026-02-10T11:40:51,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2026-02-10T11:40:51,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2026-02-10T11:40:51,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2026-02-10T11:40:51,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2026-02-10T11:40:51,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2026-02-10T11:40:51,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2026-02-10T11:40:51,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2026-02-10T11:40:51,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2026-02-10T11:40:51,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2026-02-10T11:40:51,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2026-02-10T11:40:51,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2026-02-10T11:40:51,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2026-02-10T11:40:51,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2026-02-10T11:40:51,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2026-02-10T11:40:51,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2026-02-10T11:40:51,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2026-02-10T11:40:51,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2026-02-10T11:40:51,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2026-02-10T11:40:51,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2026-02-10T11:40:51,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2026-02-10T11:40:51,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2026-02-10T11:40:51,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2026-02-10T11:40:51,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2026-02-10T11:40:51,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2026-02-10T11:40:51,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2026-02-10T11:40:51,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2026-02-10T11:40:51,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2026-02-10T11:40:51,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2026-02-10T11:40:51,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2026-02-10T11:40:51,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2026-02-10T11:40:51,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2026-02-10T11:40:51,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2026-02-10T11:40:51,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2026-02-10T11:40:51,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2026-02-10T11:40:51,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2026-02-10T11:40:51,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2026-02-10T11:40:51,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2026-02-10T11:40:51,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2026-02-10T11:40:51,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2026-02-10T11:40:51,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2026-02-10T11:40:51,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2026-02-10T11:40:51,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2026-02-10T11:40:51,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2026-02-10T11:40:51,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2026-02-10T11:40:51,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2026-02-10T11:40:51,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2026-02-10T11:40:51,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2026-02-10T11:40:51,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2026-02-10T11:40:51,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2026-02-10T11:40:51,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2026-02-10T11:40:51,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2026-02-10T11:40:51,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2026-02-10T11:40:51,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2026-02-10T11:40:51,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2026-02-10T11:40:51,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2026-02-10T11:40:51,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2026-02-10T11:40:51,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2026-02-10T11:40:51,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2026-02-10T11:40:51,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2026-02-10T11:40:51,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2026-02-10T11:40:51,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2026-02-10T11:40:51,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2026-02-10T11:40:51,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2026-02-10T11:40:51,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2026-02-10T11:40:51,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2026-02-10T11:40:51,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2026-02-10T11:40:51,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2026-02-10T11:40:51,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2026-02-10T11:40:51,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2026-02-10T11:40:51,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2026-02-10T11:40:51,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2026-02-10T11:40:51,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2026-02-10T11:40:51,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2026-02-10T11:40:51,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2026-02-10T11:40:51,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2026-02-10T11:40:51,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2026-02-10T11:40:51,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2026-02-10T11:40:51,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2026-02-10T11:40:51,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2026-02-10T11:40:51,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2026-02-10T11:40:51,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2026-02-10T11:40:51,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2026-02-10T11:40:51,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2026-02-10T11:40:51,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2026-02-10T11:40:51,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2026-02-10T11:40:51,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2026-02-10T11:40:51,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2026-02-10T11:40:51,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2026-02-10T11:40:51,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2026-02-10T11:40:51,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2026-02-10T11:40:51,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2026-02-10T11:40:51,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2026-02-10T11:40:51,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2026-02-10T11:40:51,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2026-02-10T11:40:51,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2026-02-10T11:40:51,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2026-02-10T11:40:51,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2026-02-10T11:40:51,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2026-02-10T11:40:51,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2026-02-10T11:40:51,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2026-02-10T11:40:51,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2026-02-10T11:40:51,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2026-02-10T11:40:51,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2026-02-10T11:40:51,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2026-02-10T11:40:51,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2026-02-10T11:40:51,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2026-02-10T11:40:51,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2026-02-10T11:40:51,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2026-02-10T11:40:51,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2026-02-10T11:40:51,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2026-02-10T11:40:51,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2026-02-10T11:40:51,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2026-02-10T11:40:51,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2026-02-10T11:40:51,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2026-02-10T11:40:51,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2026-02-10T11:40:51,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2026-02-10T11:40:51,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2026-02-10T11:40:51,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2026-02-10T11:40:51,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2026-02-10T11:40:51,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2026-02-10T11:40:51,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2026-02-10T11:40:51,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2026-02-10T11:40:51,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2026-02-10T11:40:51,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2026-02-10T11:40:51,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2026-02-10T11:40:51,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2026-02-10T11:40:51,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2026-02-10T11:40:51,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2026-02-10T11:40:51,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2026-02-10T11:40:51,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:51,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2026-02-10T11:40:51,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:51,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2026-02-10T11:40:51,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:51,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:40:51,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:51,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2026-02-10T11:40:51,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:51,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2026-02-10T11:40:51,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2026-02-10T11:40:51,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2026-02-10T11:40:51,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:40:51,523 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 2026-02-10T11:40:51,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:51,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2026-02-10T11:40:51,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:51,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:40:51,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:51,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:40:51,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:51,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2026-02-10T11:40:51,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:51,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2026-02-10T11:40:51,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:51,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:40:51,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:51,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:40:51,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:51,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:40:51,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:51,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:40:51,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:51,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2026-02-10T11:40:51,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:51,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2026-02-10T11:40:51,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:51,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2026-02-10T11:40:51,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2026-02-10T11:40:51,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2026-02-10T11:40:51,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2026-02-10T11:40:51,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2026-02-10T11:40:51,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:40:51,574 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 2026-02-10T11:40:51,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2026-02-10T11:40:51,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2026-02-10T11:40:51,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:51,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:40:51,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:40:51,586 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 2026-02-10T11:40:51,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:51,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:40:51,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2026-02-10T11:40:51,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2026-02-10T11:40:51,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:51,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:40:51,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:51,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:40:51,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:51,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:40:51,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:51,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2026-02-10T11:40:51,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:51,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:40:51,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:51,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:40:51,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:51,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:40:51,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2026-02-10T11:40:51,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2026-02-10T11:40:51,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:51,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:40:51,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:51,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2026-02-10T11:40:51,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:40:51,631 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 2026-02-10T11:40:51,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:51,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2026-02-10T11:40:51,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:40:51,638 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 2026-02-10T11:40:51,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:51,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:40:51,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2026-02-10T11:40:51,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2026-02-10T11:40:51,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:40:51,647 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 2026-02-10T11:40:51,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:51,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2026-02-10T11:40:51,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:51,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:40:51,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:51,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:40:51,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:51,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:40:51,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:51,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:40:51,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:40:51,665 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 2026-02-10T11:40:51,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:51,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2026-02-10T11:40:51,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:51,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:40:51,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:51,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2026-02-10T11:40:51,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2026-02-10T11:40:51,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2026-02-10T11:40:51,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2026-02-10T11:40:51,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2026-02-10T11:40:51,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:40:51,684 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 2026-02-10T11:40:51,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2026-02-10T11:40:51,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2026-02-10T11:40:51,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2026-02-10T11:40:51,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2026-02-10T11:40:51,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:51,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2026-02-10T11:40:51,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:51,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:40:51,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2026-02-10T11:40:51,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2026-02-10T11:40:51,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:51,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:40:51,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:51,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:40:51,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2026-02-10T11:40:51,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2026-02-10T11:40:51,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:51,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:40:51,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:51,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:40:51,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:51,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:40:51,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:40:51,724 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 2026-02-10T11:40:51,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:51,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2026-02-10T11:40:51,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:40:51,731 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 2026-02-10T11:40:51,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2026-02-10T11:40:51,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2026-02-10T11:40:51,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:51,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2026-02-10T11:40:51,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:51,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2026-02-10T11:40:51,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:51,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:40:51,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:51,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:40:51,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:51,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2026-02-10T11:40:51,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2026-02-10T11:40:51,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2026-02-10T11:40:51,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2026-02-10T11:40:51,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2026-02-10T11:40:51,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2026-02-10T11:40:51,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2026-02-10T11:40:51,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2026-02-10T11:40:51,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2026-02-10T11:40:51,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:51,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:40:51,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:51,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:40:51,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:51,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:40:51,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:51,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:40:51,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2026-02-10T11:40:51,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2026-02-10T11:40:51,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:51,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:40:51,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2026-02-10T11:40:51,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2026-02-10T11:40:51,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:40:51,795 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 2026-02-10T11:40:51,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:51,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2026-02-10T11:40:51,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:51,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2026-02-10T11:40:51,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2026-02-10T11:40:51,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2026-02-10T11:40:51,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:51,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2026-02-10T11:40:51,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:51,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2026-02-10T11:40:51,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:51,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2026-02-10T11:40:51,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:51,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:40:51,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:51,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2026-02-10T11:40:51,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2026-02-10T11:40:51,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2026-02-10T11:40:51,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:51,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2026-02-10T11:40:51,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:51,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:40:51,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:51,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2026-02-10T11:40:51,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:51,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2026-02-10T11:40:51,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:51,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2026-02-10T11:40:51,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:51,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2026-02-10T11:40:51,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2026-02-10T11:40:51,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2026-02-10T11:40:51,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:51,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:40:51,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:51,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2026-02-10T11:40:51,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:51,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2026-02-10T11:40:51,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:51,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:40:51,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:51,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2026-02-10T11:40:51,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:51,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2026-02-10T11:40:51,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:51,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:40:51,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:51,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2026-02-10T11:40:51,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:51,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2026-02-10T11:40:51,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2026-02-10T11:40:51,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2026-02-10T11:40:51,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:51,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:40:51,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2026-02-10T11:40:51,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2026-02-10T11:40:51,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:51,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2026-02-10T11:40:51,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:51,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2026-02-10T11:40:51,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:51,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2026-02-10T11:40:51,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:51,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:40:51,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2026-02-10T11:40:51,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2026-02-10T11:40:51,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:51,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2026-02-10T11:40:51,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:51,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2026-02-10T11:40:51,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:51,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2026-02-10T11:40:51,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:51,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:40:51,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:51,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2026-02-10T11:40:51,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2026-02-10T11:40:51,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2026-02-10T11:40:51,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:51,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2026-02-10T11:40:51,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:51,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2026-02-10T11:40:51,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:51,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2026-02-10T11:40:51,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:51,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2026-02-10T11:40:51,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:51,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:40:51,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:51,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2026-02-10T11:40:51,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2026-02-10T11:40:51,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2026-02-10T11:40:51,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:51,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2026-02-10T11:40:51,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:51,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:40:51,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:51,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2026-02-10T11:40:51,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:51,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:40:51,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:51,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:40:51,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2026-02-10T11:40:51,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2026-02-10T11:40:51,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:51,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2026-02-10T11:40:51,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:51,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2026-02-10T11:40:51,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:51,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2026-02-10T11:40:52,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:52,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2026-02-10T11:40:52,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:52,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2026-02-10T11:40:52,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:52,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2026-02-10T11:40:52,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2026-02-10T11:40:52,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2026-02-10T11:40:52,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:52,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2026-02-10T11:40:52,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:52,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2026-02-10T11:40:52,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:52,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:40:52,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:52,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2026-02-10T11:40:52,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:52,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2026-02-10T11:40:52,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:52,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:40:52,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2026-02-10T11:40:52,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2026-02-10T11:40:52,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:52,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2026-02-10T11:40:52,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:52,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2026-02-10T11:40:52,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:52,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:40:52,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:52,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2026-02-10T11:40:52,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2026-02-10T11:40:52,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2026-02-10T11:40:52,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:52,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2026-02-10T11:40:52,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2026-02-10T11:40:52,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2026-02-10T11:40:52,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2026-02-10T11:40:52,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2026-02-10T11:40:52,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:52,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:40:52,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:52,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:40:52,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:52,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:40:52,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:52,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2026-02-10T11:40:52,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:52,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:40:52,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:52,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2026-02-10T11:40:52,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:52,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2026-02-10T11:40:52,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:52,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:40:52,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:52,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2026-02-10T11:40:52,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2026-02-10T11:40:52,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2026-02-10T11:40:52,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:52,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:40:52,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:52,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2026-02-10T11:40:52,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2026-02-10T11:40:52,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2026-02-10T11:40:52,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2026-02-10T11:40:52,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2026-02-10T11:40:52,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2026-02-10T11:40:52,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2026-02-10T11:40:52,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2026-02-10T11:40:52,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2026-02-10T11:40:52,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2026-02-10T11:40:52,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2026-02-10T11:40:52,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2026-02-10T11:40:52,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2026-02-10T11:40:52,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2026-02-10T11:40:52,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2026-02-10T11:40:52,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2026-02-10T11:40:52,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2026-02-10T11:40:52,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2026-02-10T11:40:52,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2026-02-10T11:40:52,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2026-02-10T11:40:52,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2026-02-10T11:40:52,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2026-02-10T11:40:52,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2026-02-10T11:40:52,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2026-02-10T11:40:52,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2026-02-10T11:40:52,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2026-02-10T11:40:52,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2026-02-10T11:40:52,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2026-02-10T11:40:52,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2026-02-10T11:40:52,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2026-02-10T11:40:52,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2026-02-10T11:40:52,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2026-02-10T11:40:52,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2026-02-10T11:40:52,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2026-02-10T11:40:52,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2026-02-10T11:40:52,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2026-02-10T11:40:52,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2026-02-10T11:40:52,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2026-02-10T11:40:52,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2026-02-10T11:40:52,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2026-02-10T11:40:52,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2026-02-10T11:40:52,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2026-02-10T11:40:52,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2026-02-10T11:40:52,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2026-02-10T11:40:52,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2026-02-10T11:40:52,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2026-02-10T11:40:52,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2026-02-10T11:40:52,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2026-02-10T11:40:52,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2026-02-10T11:40:52,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2026-02-10T11:40:52,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2026-02-10T11:40:52,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2026-02-10T11:40:52,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2026-02-10T11:40:52,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2026-02-10T11:40:52,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2026-02-10T11:40:52,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2026-02-10T11:40:52,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2026-02-10T11:40:52,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2026-02-10T11:40:52,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2026-02-10T11:40:52,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2026-02-10T11:40:52,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2026-02-10T11:40:52,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2026-02-10T11:40:52,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2026-02-10T11:40:52,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2026-02-10T11:40:52,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2026-02-10T11:40:52,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2026-02-10T11:40:52,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2026-02-10T11:40:52,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2026-02-10T11:40:52,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2026-02-10T11:40:52,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2026-02-10T11:40:52,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2026-02-10T11:40:52,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2026-02-10T11:40:52,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2026-02-10T11:40:52,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2026-02-10T11:40:52,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2026-02-10T11:40:52,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2026-02-10T11:40:52,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2026-02-10T11:40:52,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2026-02-10T11:40:52,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2026-02-10T11:40:52,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2026-02-10T11:40:52,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2026-02-10T11:40:52,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2026-02-10T11:40:52,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2026-02-10T11:40:52,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2026-02-10T11:40:52,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2026-02-10T11:40:52,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2026-02-10T11:40:52,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2026-02-10T11:40:52,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2026-02-10T11:40:52,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2026-02-10T11:40:52,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2026-02-10T11:40:52,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2026-02-10T11:40:52,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2026-02-10T11:40:52,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2026-02-10T11:40:52,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2026-02-10T11:40:52,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2026-02-10T11:40:52,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2026-02-10T11:40:52,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2026-02-10T11:40:52,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2026-02-10T11:40:52,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2026-02-10T11:40:52,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2026-02-10T11:40:52,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2026-02-10T11:40:52,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2026-02-10T11:40:52,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2026-02-10T11:40:52,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2026-02-10T11:40:52,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2026-02-10T11:40:52,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2026-02-10T11:40:52,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2026-02-10T11:40:52,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2026-02-10T11:40:52,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2026-02-10T11:40:52,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2026-02-10T11:40:52,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2026-02-10T11:40:52,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2026-02-10T11:40:52,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2026-02-10T11:40:52,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2026-02-10T11:40:52,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2026-02-10T11:40:52,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2026-02-10T11:40:52,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2026-02-10T11:40:52,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2026-02-10T11:40:52,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2026-02-10T11:40:52,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2026-02-10T11:40:52,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2026-02-10T11:40:52,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2026-02-10T11:40:52,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2026-02-10T11:40:52,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2026-02-10T11:40:52,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2026-02-10T11:40:52,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2026-02-10T11:40:52,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2026-02-10T11:40:52,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2026-02-10T11:40:52,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2026-02-10T11:40:52,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2026-02-10T11:40:52,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2026-02-10T11:40:52,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2026-02-10T11:40:52,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2026-02-10T11:40:52,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2026-02-10T11:40:52,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2026-02-10T11:40:52,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2026-02-10T11:40:52,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2026-02-10T11:40:52,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2026-02-10T11:40:52,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2026-02-10T11:40:52,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2026-02-10T11:40:52,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2026-02-10T11:40:52,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2026-02-10T11:40:52,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2026-02-10T11:40:52,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:52,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:40:52,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:52,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2026-02-10T11:40:52,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2026-02-10T11:40:52,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2026-02-10T11:40:52,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2026-02-10T11:40:52,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2026-02-10T11:40:52,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2026-02-10T11:40:52,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2026-02-10T11:40:52,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:52,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:40:52,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:52,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2026-02-10T11:40:52,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2026-02-10T11:40:52,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2026-02-10T11:40:52,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2026-02-10T11:40:52,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2026-02-10T11:40:52,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2026-02-10T11:40:52,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2026-02-10T11:40:52,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2026-02-10T11:40:52,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2026-02-10T11:40:52,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:52,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:40:52,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2026-02-10T11:40:52,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2026-02-10T11:40:52,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:52,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2026-02-10T11:40:52,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2026-02-10T11:40:52,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2026-02-10T11:40:52,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:52,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2026-02-10T11:40:52,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2026-02-10T11:40:52,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2026-02-10T11:40:52,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2026-02-10T11:40:52,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2026-02-10T11:40:52,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:52,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2026-02-10T11:40:52,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2026-02-10T11:40:52,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2026-02-10T11:40:52,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:52,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2026-02-10T11:40:52,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:52,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2026-02-10T11:40:52,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:52,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2026-02-10T11:40:52,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2026-02-10T11:40:52,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2026-02-10T11:40:52,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2026-02-10T11:40:52,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2026-02-10T11:40:52,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2026-02-10T11:40:52,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2026-02-10T11:40:52,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2026-02-10T11:40:52,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2026-02-10T11:40:52,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:52,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2026-02-10T11:40:52,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2026-02-10T11:40:52,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2026-02-10T11:40:52,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2026-02-10T11:40:52,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2026-02-10T11:40:52,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2026-02-10T11:40:52,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2026-02-10T11:40:52,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2026-02-10T11:40:52,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2026-02-10T11:40:52,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2026-02-10T11:40:52,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2026-02-10T11:40:52,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2026-02-10T11:40:52,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2026-02-10T11:40:52,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2026-02-10T11:40:52,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2026-02-10T11:40:52,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2026-02-10T11:40:52,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2026-02-10T11:40:52,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2026-02-10T11:40:52,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2026-02-10T11:40:52,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2026-02-10T11:40:52,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2026-02-10T11:40:52,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2026-02-10T11:40:52,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2026-02-10T11:40:52,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2026-02-10T11:40:52,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2026-02-10T11:40:52,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2026-02-10T11:40:52,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2026-02-10T11:40:52,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2026-02-10T11:40:52,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2026-02-10T11:40:52,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2026-02-10T11:40:52,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2026-02-10T11:40:52,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2026-02-10T11:40:52,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2026-02-10T11:40:52,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2026-02-10T11:40:52,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2026-02-10T11:40:52,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2026-02-10T11:40:52,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2026-02-10T11:40:52,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2026-02-10T11:40:52,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2026-02-10T11:40:52,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2026-02-10T11:40:52,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2026-02-10T11:40:52,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2026-02-10T11:40:52,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2026-02-10T11:40:52,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2026-02-10T11:40:52,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2026-02-10T11:40:52,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2026-02-10T11:40:52,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2026-02-10T11:40:52,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2026-02-10T11:40:52,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2026-02-10T11:40:52,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2026-02-10T11:40:52,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2026-02-10T11:40:52,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2026-02-10T11:40:52,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2026-02-10T11:40:52,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2026-02-10T11:40:52,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2026-02-10T11:40:52,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2026-02-10T11:40:52,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2026-02-10T11:40:52,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2026-02-10T11:40:52,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2026-02-10T11:40:52,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2026-02-10T11:40:52,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2026-02-10T11:40:52,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2026-02-10T11:40:52,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2026-02-10T11:40:52,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2026-02-10T11:40:52,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2026-02-10T11:40:52,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2026-02-10T11:40:52,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2026-02-10T11:40:52,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2026-02-10T11:40:52,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2026-02-10T11:40:52,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2026-02-10T11:40:52,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2026-02-10T11:40:52,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2026-02-10T11:40:52,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2026-02-10T11:40:52,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2026-02-10T11:40:52,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2026-02-10T11:40:52,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:52,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:40:52,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:52,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2026-02-10T11:40:52,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:52,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:40:52,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:52,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2026-02-10T11:40:52,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:52,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:40:52,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:52,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2026-02-10T11:40:52,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:52,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:40:52,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:52,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:40:52,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:52,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:40:52,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:52,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:40:52,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:52,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:40:52,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:52,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:40:52,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:52,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2026-02-10T11:40:52,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:52,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:40:52,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:52,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:40:52,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:52,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:40:52,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:52,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2026-02-10T11:40:52,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:52,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:40:52,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:52,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2026-02-10T11:40:52,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:52,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2026-02-10T11:40:52,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:52,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2026-02-10T11:40:52,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:52,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2026-02-10T11:40:52,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:52,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2026-02-10T11:40:52,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:52,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:40:52,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:52,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:40:52,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:52,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:40:52,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:52,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2026-02-10T11:40:52,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:52,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:40:52,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:52,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:40:52,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2026-02-10T11:40:52,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2026-02-10T11:40:52,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2026-02-10T11:40:52,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2026-02-10T11:40:52,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2026-02-10T11:40:52,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2026-02-10T11:40:52,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2026-02-10T11:40:52,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2026-02-10T11:40:52,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2026-02-10T11:40:52,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2026-02-10T11:40:52,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2026-02-10T11:40:52,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2026-02-10T11:40:52,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2026-02-10T11:40:52,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2026-02-10T11:40:52,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2026-02-10T11:40:52,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2026-02-10T11:40:52,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2026-02-10T11:40:52,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2026-02-10T11:40:52,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:52,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2026-02-10T11:40:52,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2026-02-10T11:40:52,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2026-02-10T11:40:52,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2026-02-10T11:40:52,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2026-02-10T11:40:52,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2026-02-10T11:40:52,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2026-02-10T11:40:52,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2026-02-10T11:40:52,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2026-02-10T11:40:52,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2026-02-10T11:40:52,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2026-02-10T11:40:52,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2026-02-10T11:40:52,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2026-02-10T11:40:52,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2026-02-10T11:40:52,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2026-02-10T11:40:52,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2026-02-10T11:40:52,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2026-02-10T11:40:52,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2026-02-10T11:40:52,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2026-02-10T11:40:52,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2026-02-10T11:40:52,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2026-02-10T11:40:52,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2026-02-10T11:40:52,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2026-02-10T11:40:52,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:52,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2026-02-10T11:40:52,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2026-02-10T11:40:52,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2026-02-10T11:40:52,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2026-02-10T11:40:52,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2026-02-10T11:40:52,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2026-02-10T11:40:52,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2026-02-10T11:40:52,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2026-02-10T11:40:52,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2026-02-10T11:40:52,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2026-02-10T11:40:52,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2026-02-10T11:40:52,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2026-02-10T11:40:52,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2026-02-10T11:40:52,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2026-02-10T11:40:52,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2026-02-10T11:40:52,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2026-02-10T11:40:52,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2026-02-10T11:40:52,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2026-02-10T11:40:52,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2026-02-10T11:40:52,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2026-02-10T11:40:52,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2026-02-10T11:40:52,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2026-02-10T11:40:52,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2026-02-10T11:40:52,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2026-02-10T11:40:52,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2026-02-10T11:40:52,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2026-02-10T11:40:52,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2026-02-10T11:40:52,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2026-02-10T11:40:52,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2026-02-10T11:40:52,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2026-02-10T11:40:52,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2026-02-10T11:40:52,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2026-02-10T11:40:52,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2026-02-10T11:40:52,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2026-02-10T11:40:52,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2026-02-10T11:40:52,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2026-02-10T11:40:52,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2026-02-10T11:40:52,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2026-02-10T11:40:52,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2026-02-10T11:40:52,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2026-02-10T11:40:52,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2026-02-10T11:40:52,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2026-02-10T11:40:52,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2026-02-10T11:40:52,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2026-02-10T11:40:52,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2026-02-10T11:40:52,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2026-02-10T11:40:52,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2026-02-10T11:40:52,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2026-02-10T11:40:52,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2026-02-10T11:40:52,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2026-02-10T11:40:52,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2026-02-10T11:40:52,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2026-02-10T11:40:52,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2026-02-10T11:40:52,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2026-02-10T11:40:52,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2026-02-10T11:40:52,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2026-02-10T11:40:52,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2026-02-10T11:40:52,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2026-02-10T11:40:52,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2026-02-10T11:40:52,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2026-02-10T11:40:52,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2026-02-10T11:40:52,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2026-02-10T11:40:52,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2026-02-10T11:40:52,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2026-02-10T11:40:52,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2026-02-10T11:40:52,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2026-02-10T11:40:52,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2026-02-10T11:40:52,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2026-02-10T11:40:52,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2026-02-10T11:40:52,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2026-02-10T11:40:52,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2026-02-10T11:40:52,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2026-02-10T11:40:52,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2026-02-10T11:40:52,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2026-02-10T11:40:52,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2026-02-10T11:40:52,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2026-02-10T11:40:52,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2026-02-10T11:40:52,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2026-02-10T11:40:52,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2026-02-10T11:40:52,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2026-02-10T11:40:52,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2026-02-10T11:40:52,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2026-02-10T11:40:52,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2026-02-10T11:40:52,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2026-02-10T11:40:52,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2026-02-10T11:40:52,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2026-02-10T11:40:52,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2026-02-10T11:40:52,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2026-02-10T11:40:52,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2026-02-10T11:40:53,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2026-02-10T11:40:53,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2026-02-10T11:40:53,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2026-02-10T11:40:53,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2026-02-10T11:40:53,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2026-02-10T11:40:53,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2026-02-10T11:40:53,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2026-02-10T11:40:53,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2026-02-10T11:40:53,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2026-02-10T11:40:53,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2026-02-10T11:40:53,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2026-02-10T11:40:53,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2026-02-10T11:40:53,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2026-02-10T11:40:53,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2026-02-10T11:40:53,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2026-02-10T11:40:53,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2026-02-10T11:40:53,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2026-02-10T11:40:53,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2026-02-10T11:40:53,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2026-02-10T11:40:53,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2026-02-10T11:40:53,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2026-02-10T11:40:53,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2026-02-10T11:40:53,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2026-02-10T11:40:53,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2026-02-10T11:40:53,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2026-02-10T11:40:53,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2026-02-10T11:40:53,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2026-02-10T11:40:53,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2026-02-10T11:40:53,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2026-02-10T11:40:53,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2026-02-10T11:40:53,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2026-02-10T11:40:53,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2026-02-10T11:40:53,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2026-02-10T11:40:53,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2026-02-10T11:40:53,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2026-02-10T11:40:53,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2026-02-10T11:40:53,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2026-02-10T11:40:53,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2026-02-10T11:40:53,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2026-02-10T11:40:53,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2026-02-10T11:40:53,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2026-02-10T11:40:53,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2026-02-10T11:40:53,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2026-02-10T11:40:53,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2026-02-10T11:40:53,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2026-02-10T11:40:53,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2026-02-10T11:40:53,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2026-02-10T11:40:53,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2026-02-10T11:40:53,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2026-02-10T11:40:53,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2026-02-10T11:40:53,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2026-02-10T11:40:53,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2026-02-10T11:40:53,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2026-02-10T11:40:53,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2026-02-10T11:40:53,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2026-02-10T11:40:53,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2026-02-10T11:40:53,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2026-02-10T11:40:53,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2026-02-10T11:40:53,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2026-02-10T11:40:53,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2026-02-10T11:40:53,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2026-02-10T11:40:53,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2026-02-10T11:40:53,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2026-02-10T11:40:53,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2026-02-10T11:40:53,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2026-02-10T11:40:53,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2026-02-10T11:40:53,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2026-02-10T11:40:53,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2026-02-10T11:40:53,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2026-02-10T11:40:53,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2026-02-10T11:40:53,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2026-02-10T11:40:53,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2026-02-10T11:40:53,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2026-02-10T11:40:53,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2026-02-10T11:40:53,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2026-02-10T11:40:53,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2026-02-10T11:40:53,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2026-02-10T11:40:53,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2026-02-10T11:40:53,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2026-02-10T11:40:53,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2026-02-10T11:40:53,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2026-02-10T11:40:53,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2026-02-10T11:40:53,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2026-02-10T11:40:53,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2026-02-10T11:40:53,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2026-02-10T11:40:53,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2026-02-10T11:40:53,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2026-02-10T11:40:53,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2026-02-10T11:40:53,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2026-02-10T11:40:53,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2026-02-10T11:40:53,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2026-02-10T11:40:53,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2026-02-10T11:40:53,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2026-02-10T11:40:53,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2026-02-10T11:40:53,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2026-02-10T11:40:53,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2026-02-10T11:40:53,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2026-02-10T11:40:53,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2026-02-10T11:40:53,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2026-02-10T11:40:53,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2026-02-10T11:40:53,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2026-02-10T11:40:53,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2026-02-10T11:40:53,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2026-02-10T11:40:53,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2026-02-10T11:40:53,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2026-02-10T11:40:53,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2026-02-10T11:40:53,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2026-02-10T11:40:53,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2026-02-10T11:40:53,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2026-02-10T11:40:53,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2026-02-10T11:40:53,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2026-02-10T11:40:53,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2026-02-10T11:40:53,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2026-02-10T11:40:53,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2026-02-10T11:40:53,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2026-02-10T11:40:53,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2026-02-10T11:40:53,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2026-02-10T11:40:53,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2026-02-10T11:40:53,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2026-02-10T11:40:53,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2026-02-10T11:40:53,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2026-02-10T11:40:53,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2026-02-10T11:40:53,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2026-02-10T11:40:53,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2026-02-10T11:40:53,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2026-02-10T11:40:53,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2026-02-10T11:40:53,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2026-02-10T11:40:53,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2026-02-10T11:40:53,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2026-02-10T11:40:53,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2026-02-10T11:40:53,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2026-02-10T11:40:53,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2026-02-10T11:40:53,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2026-02-10T11:40:53,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2026-02-10T11:40:53,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2026-02-10T11:40:53,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2026-02-10T11:40:53,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2026-02-10T11:40:53,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2026-02-10T11:40:53,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2026-02-10T11:40:53,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2026-02-10T11:40:53,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2026-02-10T11:40:53,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2026-02-10T11:40:53,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2026-02-10T11:40:53,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2026-02-10T11:40:53,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2026-02-10T11:40:53,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2026-02-10T11:40:53,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2026-02-10T11:40:53,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2026-02-10T11:40:53,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2026-02-10T11:40:53,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2026-02-10T11:40:53,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2026-02-10T11:40:53,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2026-02-10T11:40:53,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2026-02-10T11:40:53,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2026-02-10T11:40:53,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2026-02-10T11:40:53,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2026-02-10T11:40:53,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2026-02-10T11:40:53,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2026-02-10T11:40:53,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2026-02-10T11:40:53,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2026-02-10T11:40:53,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2026-02-10T11:40:53,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2026-02-10T11:40:53,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2026-02-10T11:40:53,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2026-02-10T11:40:53,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2026-02-10T11:40:53,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2026-02-10T11:40:53,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2026-02-10T11:40:53,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2026-02-10T11:40:53,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2026-02-10T11:40:53,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2026-02-10T11:40:53,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2026-02-10T11:40:53,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2026-02-10T11:40:53,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2026-02-10T11:40:53,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2026-02-10T11:40:53,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2026-02-10T11:40:53,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2026-02-10T11:40:53,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2026-02-10T11:40:53,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2026-02-10T11:40:53,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2026-02-10T11:40:53,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2026-02-10T11:40:53,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2026-02-10T11:40:53,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2026-02-10T11:40:53,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2026-02-10T11:40:53,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2026-02-10T11:40:53,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2026-02-10T11:40:53,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2026-02-10T11:40:53,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2026-02-10T11:40:53,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2026-02-10T11:40:53,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2026-02-10T11:40:53,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2026-02-10T11:40:53,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2026-02-10T11:40:53,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2026-02-10T11:40:53,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2026-02-10T11:40:53,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2026-02-10T11:40:53,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2026-02-10T11:40:53,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2026-02-10T11:40:53,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2026-02-10T11:40:53,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2026-02-10T11:40:53,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2026-02-10T11:40:53,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2026-02-10T11:40:53,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2026-02-10T11:40:53,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2026-02-10T11:40:53,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2026-02-10T11:40:53,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2026-02-10T11:40:53,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2026-02-10T11:40:53,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2026-02-10T11:40:53,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2026-02-10T11:40:53,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2026-02-10T11:40:53,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2026-02-10T11:40:53,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2026-02-10T11:40:53,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2026-02-10T11:40:53,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2026-02-10T11:40:53,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2026-02-10T11:40:53,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2026-02-10T11:40:53,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2026-02-10T11:40:53,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2026-02-10T11:40:53,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2026-02-10T11:40:53,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2026-02-10T11:40:53,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2026-02-10T11:40:53,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2026-02-10T11:40:53,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2026-02-10T11:40:53,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2026-02-10T11:40:53,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2026-02-10T11:40:53,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2026-02-10T11:40:53,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2026-02-10T11:40:53,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2026-02-10T11:40:53,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2026-02-10T11:40:53,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2026-02-10T11:40:53,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2026-02-10T11:40:53,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2026-02-10T11:40:53,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2026-02-10T11:40:53,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2026-02-10T11:40:53,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2026-02-10T11:40:53,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2026-02-10T11:40:53,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2026-02-10T11:40:53,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2026-02-10T11:40:53,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2026-02-10T11:40:53,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2026-02-10T11:40:53,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2026-02-10T11:40:53,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2026-02-10T11:40:53,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2026-02-10T11:40:53,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2026-02-10T11:40:53,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2026-02-10T11:40:53,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2026-02-10T11:40:53,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2026-02-10T11:40:53,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2026-02-10T11:40:53,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2026-02-10T11:40:53,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2026-02-10T11:40:53,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2026-02-10T11:40:53,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2026-02-10T11:40:53,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:53,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2026-02-10T11:40:53,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:53,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2026-02-10T11:40:53,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:53,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2026-02-10T11:40:53,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:53,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2026-02-10T11:40:53,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:53,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2026-02-10T11:40:53,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:53,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2026-02-10T11:40:53,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:53,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2026-02-10T11:40:53,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:53,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2026-02-10T11:40:53,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:53,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:40:53,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:53,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2026-02-10T11:40:53,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:53,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2026-02-10T11:40:53,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:53,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2026-02-10T11:40:53,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:53,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:40:53,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:53,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2026-02-10T11:40:53,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:53,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2026-02-10T11:40:53,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:53,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2026-02-10T11:40:53,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:53,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2026-02-10T11:40:53,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:53,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2026-02-10T11:40:53,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:53,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2026-02-10T11:40:53,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:53,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2026-02-10T11:40:53,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2026-02-10T11:40:53,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2026-02-10T11:40:53,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2026-02-10T11:40:53,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2026-02-10T11:40:53,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2026-02-10T11:40:53,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2026-02-10T11:40:53,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2026-02-10T11:40:53,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2026-02-10T11:40:53,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2026-02-10T11:40:53,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2026-02-10T11:40:53,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2026-02-10T11:40:53,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2026-02-10T11:40:53,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2026-02-10T11:40:53,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2026-02-10T11:40:53,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2026-02-10T11:40:53,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2026-02-10T11:40:53,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2026-02-10T11:40:53,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2026-02-10T11:40:53,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2026-02-10T11:40:53,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2026-02-10T11:40:53,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2026-02-10T11:40:53,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2026-02-10T11:40:53,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2026-02-10T11:40:53,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2026-02-10T11:40:53,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2026-02-10T11:40:53,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2026-02-10T11:40:53,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2026-02-10T11:40:53,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2026-02-10T11:40:53,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2026-02-10T11:40:53,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2026-02-10T11:40:53,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2026-02-10T11:40:53,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2026-02-10T11:40:53,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2026-02-10T11:40:53,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2026-02-10T11:40:53,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2026-02-10T11:40:53,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2026-02-10T11:40:53,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2026-02-10T11:40:53,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2026-02-10T11:40:53,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2026-02-10T11:40:53,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2026-02-10T11:40:53,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2026-02-10T11:40:53,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2026-02-10T11:40:53,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2026-02-10T11:40:53,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2026-02-10T11:40:53,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2026-02-10T11:40:53,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2026-02-10T11:40:53,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2026-02-10T11:40:53,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2026-02-10T11:40:53,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2026-02-10T11:40:53,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2026-02-10T11:40:53,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2026-02-10T11:40:53,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2026-02-10T11:40:53,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2026-02-10T11:40:53,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2026-02-10T11:40:53,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2026-02-10T11:40:53,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2026-02-10T11:40:53,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2026-02-10T11:40:53,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2026-02-10T11:40:53,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2026-02-10T11:40:53,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2026-02-10T11:40:53,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2026-02-10T11:40:53,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2026-02-10T11:40:53,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2026-02-10T11:40:53,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2026-02-10T11:40:53,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2026-02-10T11:40:53,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2026-02-10T11:40:53,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2026-02-10T11:40:53,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2026-02-10T11:40:53,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2026-02-10T11:40:53,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2026-02-10T11:40:53,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2026-02-10T11:40:53,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2026-02-10T11:40:53,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2026-02-10T11:40:53,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2026-02-10T11:40:53,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2026-02-10T11:40:53,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2026-02-10T11:40:53,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2026-02-10T11:40:53,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2026-02-10T11:40:53,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2026-02-10T11:40:53,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2026-02-10T11:40:53,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2026-02-10T11:40:53,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2026-02-10T11:40:53,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2026-02-10T11:40:53,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2026-02-10T11:40:53,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2026-02-10T11:40:53,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2026-02-10T11:40:53,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2026-02-10T11:40:53,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2026-02-10T11:40:53,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2026-02-10T11:40:53,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2026-02-10T11:40:53,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2026-02-10T11:40:53,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2026-02-10T11:40:53,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2026-02-10T11:40:53,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2026-02-10T11:40:53,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2026-02-10T11:40:53,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2026-02-10T11:40:53,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2026-02-10T11:40:53,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2026-02-10T11:40:53,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2026-02-10T11:40:53,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2026-02-10T11:40:53,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2026-02-10T11:40:53,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2026-02-10T11:40:53,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2026-02-10T11:40:53,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2026-02-10T11:40:53,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2026-02-10T11:40:53,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2026-02-10T11:40:53,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2026-02-10T11:40:53,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2026-02-10T11:40:53,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2026-02-10T11:40:53,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2026-02-10T11:40:53,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2026-02-10T11:40:53,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2026-02-10T11:40:53,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2026-02-10T11:40:53,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2026-02-10T11:40:53,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:53,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:40:53,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:53,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:40:53,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:53,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:40:53,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:53,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:40:53,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:53,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:40:53,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:53,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:40:53,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:53,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:40:53,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:53,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:40:53,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:53,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:40:53,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:53,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:40:53,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:53,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:40:53,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:53,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:40:53,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:53,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:40:53,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:53,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:40:53,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:53,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:40:53,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:53,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:40:53,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:53,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:40:53,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:53,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:40:53,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:53,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:40:53,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:53,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:40:53,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:53,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:40:53,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:53,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:40:53,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:53,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:40:53,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:53,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:40:53,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:53,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:40:53,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:53,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:40:53,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:53,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:40:53,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:53,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:40:53,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:53,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:40:53,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:53,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:40:53,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:53,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:40:53,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:53,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:40:53,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:53,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:40:53,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:53,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:40:53,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:53,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:40:53,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:53,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:40:53,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:53,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:40:53,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:53,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:40:53,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:53,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:40:53,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:53,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:40:53,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:53,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:40:53,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:53,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:40:53,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:53,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:40:53,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:53,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:40:53,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:53,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:40:53,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:53,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:40:53,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:53,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:40:53,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:53,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:40:53,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:53,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:40:53,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:53,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:40:53,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:53,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:40:53,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:53,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:40:53,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:53,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:40:53,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:53,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:40:53,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:53,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:40:53,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:53,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:40:53,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:53,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:40:54,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:54,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:40:54,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:54,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:40:54,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:54,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:40:54,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:54,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:40:54,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:54,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:40:54,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:54,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:40:54,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:54,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:40:54,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:54,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:40:54,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2026-02-10T11:40:54,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2026-02-10T11:40:54,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2026-02-10T11:40:54,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2026-02-10T11:40:54,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2026-02-10T11:40:54,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2026-02-10T11:40:54,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2026-02-10T11:40:54,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2026-02-10T11:40:54,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2026-02-10T11:40:54,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2026-02-10T11:40:54,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:54,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2026-02-10T11:40:54,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2026-02-10T11:40:54,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2026-02-10T11:40:54,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:54,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2026-02-10T11:40:54,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2026-02-10T11:40:54,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2026-02-10T11:40:54,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:54,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2026-02-10T11:40:54,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:54,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2026-02-10T11:40:54,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2026-02-10T11:40:54,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2026-02-10T11:40:54,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2026-02-10T11:40:54,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2026-02-10T11:40:54,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:54,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:40:54,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:54,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2026-02-10T11:40:54,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:54,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:40:54,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:54,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:40:54,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:54,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2026-02-10T11:40:54,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:54,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2026-02-10T11:40:54,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:54,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:40:54,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:54,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:40:54,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:54,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2026-02-10T11:40:54,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:54,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:40:54,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:54,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:40:54,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:54,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:40:54,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:54,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:40:54,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:54,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:40:54,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:54,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:40:54,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:54,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:40:54,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:54,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:40:54,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:54,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:40:54,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:54,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2026-02-10T11:40:54,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:54,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:40:54,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:54,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:40:54,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:54,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:40:54,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:54,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:40:54,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:54,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:40:54,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:54,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:40:54,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:54,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:40:54,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:54,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:40:54,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:54,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2026-02-10T11:40:54,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:54,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2026-02-10T11:40:54,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:54,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:40:54,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:54,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:40:54,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:54,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:40:54,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:54,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2026-02-10T11:40:54,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:54,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:40:54,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:54,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:40:54,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:54,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:40:54,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:54,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:40:54,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:54,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:40:54,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2026-02-10T11:40:54,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2026-02-10T11:40:54,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2026-02-10T11:40:54,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2026-02-10T11:40:54,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:54,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2026-02-10T11:40:54,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2026-02-10T11:40:54,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2026-02-10T11:40:54,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2026-02-10T11:40:54,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2026-02-10T11:40:54,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2026-02-10T11:40:54,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2026-02-10T11:40:54,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2026-02-10T11:40:54,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2026-02-10T11:40:54,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:54,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2026-02-10T11:40:54,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:54,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2026-02-10T11:40:54,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:54,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2026-02-10T11:40:54,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2026-02-10T11:40:54,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2026-02-10T11:40:54,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:54,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2026-02-10T11:40:54,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2026-02-10T11:40:54,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2026-02-10T11:40:54,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2026-02-10T11:40:54,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2026-02-10T11:40:54,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2026-02-10T11:40:54,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2026-02-10T11:40:54,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2026-02-10T11:40:54,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2026-02-10T11:40:54,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2026-02-10T11:40:54,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2026-02-10T11:40:54,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2026-02-10T11:40:54,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2026-02-10T11:40:54,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2026-02-10T11:40:54,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2026-02-10T11:40:54,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2026-02-10T11:40:54,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2026-02-10T11:40:54,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:54,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2026-02-10T11:40:54,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2026-02-10T11:40:54,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2026-02-10T11:40:54,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:54,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2026-02-10T11:40:54,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2026-02-10T11:40:54,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2026-02-10T11:40:54,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2026-02-10T11:40:54,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2026-02-10T11:40:54,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2026-02-10T11:40:54,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2026-02-10T11:40:54,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2026-02-10T11:40:54,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2026-02-10T11:40:54,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2026-02-10T11:40:54,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2026-02-10T11:40:54,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:54,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2026-02-10T11:40:54,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:54,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2026-02-10T11:40:54,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2026-02-10T11:40:54,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2026-02-10T11:40:54,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:54,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2026-02-10T11:40:54,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:54,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2026-02-10T11:40:54,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:54,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2026-02-10T11:40:54,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:54,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2026-02-10T11:40:54,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2026-02-10T11:40:54,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2026-02-10T11:40:54,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2026-02-10T11:40:54,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2026-02-10T11:40:54,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:54,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2026-02-10T11:40:54,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2026-02-10T11:40:54,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2026-02-10T11:40:54,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2026-02-10T11:40:54,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2026-02-10T11:40:54,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2026-02-10T11:40:54,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2026-02-10T11:40:54,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2026-02-10T11:40:54,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2026-02-10T11:40:54,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:54,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2026-02-10T11:40:54,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:54,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2026-02-10T11:40:54,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2026-02-10T11:40:54,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2026-02-10T11:40:54,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2026-02-10T11:40:54,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2026-02-10T11:40:54,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:54,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2026-02-10T11:40:54,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2026-02-10T11:40:54,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2026-02-10T11:40:54,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2026-02-10T11:40:54,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2026-02-10T11:40:54,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:54,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2026-02-10T11:40:54,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2026-02-10T11:40:54,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2026-02-10T11:40:54,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2026-02-10T11:40:54,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2026-02-10T11:40:54,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2026-02-10T11:40:54,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2026-02-10T11:40:54,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2026-02-10T11:40:54,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2026-02-10T11:40:54,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2026-02-10T11:40:54,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2026-02-10T11:40:54,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:54,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2026-02-10T11:40:54,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:54,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2026-02-10T11:40:54,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:54,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2026-02-10T11:40:54,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2026-02-10T11:40:54,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2026-02-10T11:40:54,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2026-02-10T11:40:54,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2026-02-10T11:40:54,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2026-02-10T11:40:54,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2026-02-10T11:40:54,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2026-02-10T11:40:54,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2026-02-10T11:40:54,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2026-02-10T11:40:54,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2026-02-10T11:40:54,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2026-02-10T11:40:54,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2026-02-10T11:40:54,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2026-02-10T11:40:54,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2026-02-10T11:40:54,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2026-02-10T11:40:54,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2026-02-10T11:40:54,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:54,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2026-02-10T11:40:54,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:54,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2026-02-10T11:40:54,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:54,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2026-02-10T11:40:54,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2026-02-10T11:40:54,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2026-02-10T11:40:54,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2026-02-10T11:40:54,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2026-02-10T11:40:54,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:54,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2026-02-10T11:40:54,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2026-02-10T11:40:54,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2026-02-10T11:40:54,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:54,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2026-02-10T11:40:54,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:54,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2026-02-10T11:40:54,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2026-02-10T11:40:54,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2026-02-10T11:40:54,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:54,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2026-02-10T11:40:54,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2026-02-10T11:40:54,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2026-02-10T11:40:54,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:40:54,506 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 2026-02-10T11:40:54,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:40:54,510 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 2026-02-10T11:40:54,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:40:54,514 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 2026-02-10T11:40:54,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:40:54,518 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 2026-02-10T11:40:54,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:40:54,522 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 2026-02-10T11:40:54,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:40:54,526 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 2026-02-10T11:40:54,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:40:54,531 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 2026-02-10T11:40:54,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2026-02-10T11:40:54,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2026-02-10T11:40:54,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2026-02-10T11:40:54,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2026-02-10T11:40:54,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:40:54,542 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 2026-02-10T11:40:54,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:54,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2026-02-10T11:40:54,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2026-02-10T11:40:54,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2026-02-10T11:40:54,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:40:54,554 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 2026-02-10T11:40:54,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:40:54,558 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 2026-02-10T11:40:54,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:54,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2026-02-10T11:40:54,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:40:54,565 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 2026-02-10T11:40:54,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2026-02-10T11:40:54,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2026-02-10T11:40:54,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:40:54,572 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 2026-02-10T11:40:54,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2026-02-10T11:40:54,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2026-02-10T11:40:54,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:54,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2026-02-10T11:40:54,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:40:54,583 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 2026-02-10T11:40:54,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:54,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2026-02-10T11:40:54,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:54,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:40:54,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:54,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:40:54,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:54,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:40:54,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:54,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:40:54,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:54,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:40:54,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:54,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:40:54,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:54,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:40:54,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:54,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:40:54,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:54,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:40:54,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:54,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:40:54,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:54,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:40:54,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:54,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:40:54,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:54,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:40:54,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:54,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:40:54,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:54,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:40:54,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:54,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:40:54,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:54,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:40:54,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:54,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:40:54,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:54,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:40:54,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:54,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:40:54,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:54,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:40:54,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:54,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:40:54,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:54,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:40:54,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:54,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:40:54,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:54,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:40:54,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:54,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:40:54,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:54,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:40:54,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:54,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:40:54,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:54,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:40:54,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:54,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:40:54,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:54,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:40:54,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:54,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:40:54,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:54,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:40:54,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:54,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:40:54,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:54,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:40:54,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:54,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:40:54,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:54,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:40:54,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:54,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:40:54,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:54,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:40:54,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:54,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:40:54,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:54,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:40:54,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:54,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:40:54,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:54,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:40:54,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:54,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:40:54,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:54,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:40:54,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:54,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:40:54,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:54,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:40:54,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:54,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:40:54,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:54,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:40:54,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:54,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:40:54,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:54,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:40:54,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:54,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:40:54,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:54,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:40:54,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:54,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:40:54,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:54,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:40:54,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:54,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:40:54,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:54,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:40:54,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:54,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:40:54,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:54,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:40:54,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:54,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:40:54,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:54,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:40:54,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:54,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:40:54,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:54,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:40:54,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:54,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:40:54,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:54,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:40:54,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:54,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:40:54,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:54,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:40:54,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:54,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:40:54,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:54,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:40:54,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:54,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:40:54,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:54,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:40:54,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:54,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:40:54,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:54,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:40:54,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:54,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:40:54,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:54,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:40:54,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:54,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:40:54,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:54,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:40:54,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:54,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:40:54,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:54,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:40:54,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:54,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:40:54,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:54,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:40:54,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:54,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:40:54,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:54,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:40:54,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:54,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:40:54,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:54,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:40:54,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:54,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:40:54,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:54,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:40:54,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:54,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:40:54,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:54,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:40:54,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:54,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:40:54,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:54,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:40:54,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:54,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:40:54,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:54,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:40:54,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:54,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:40:54,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:54,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:40:54,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:54,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:40:54,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:54,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:40:54,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:54,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:40:54,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:54,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:40:54,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:54,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:40:54,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:54,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:40:54,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:54,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2026-02-10T11:40:54,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:54,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:40:54,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:54,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:40:54,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:54,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:40:54,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:54,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:40:54,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:54,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:40:54,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:54,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:40:55,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:55,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2026-02-10T11:40:55,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:55,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:40:55,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:55,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:40:55,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:55,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:40:55,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:55,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:40:55,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:55,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:40:55,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:55,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:40:55,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:55,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2026-02-10T11:40:55,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:55,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:40:55,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:55,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:40:55,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:55,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2026-02-10T11:40:55,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:40:55,039 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 2026-02-10T11:40:55,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:55,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2026-02-10T11:40:55,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2026-02-10T11:40:55,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2026-02-10T11:40:55,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:55,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:40:55,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:55,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:40:55,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2026-02-10T11:40:55,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2026-02-10T11:40:55,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2026-02-10T11:40:55,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2026-02-10T11:40:55,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:55,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:40:55,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:55,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:40:55,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:55,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:40:55,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2026-02-10T11:40:55,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2026-02-10T11:40:55,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:55,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2026-02-10T11:40:55,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:55,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:40:55,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:55,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:40:55,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:55,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:40:55,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:55,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:40:55,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2026-02-10T11:40:55,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2026-02-10T11:40:55,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:55,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2026-02-10T11:40:55,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:55,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:40:55,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2026-02-10T11:40:55,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2026-02-10T11:40:55,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2026-02-10T11:40:55,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2026-02-10T11:40:55,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2026-02-10T11:40:55,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2026-02-10T11:40:55,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:40:55,123 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 2026-02-10T11:40:55,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2026-02-10T11:40:55,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2026-02-10T11:40:55,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:55,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:40:55,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:55,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:40:55,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:55,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:40:55,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2026-02-10T11:40:55,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2026-02-10T11:40:55,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:55,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:40:55,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2026-02-10T11:40:55,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2026-02-10T11:40:55,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2026-02-10T11:40:55,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2026-02-10T11:40:55,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2026-02-10T11:40:55,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2026-02-10T11:40:55,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2026-02-10T11:40:55,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2026-02-10T11:40:55,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2026-02-10T11:40:55,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2026-02-10T11:40:55,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2026-02-10T11:40:55,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2026-02-10T11:40:55,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2026-02-10T11:40:55,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2026-02-10T11:40:55,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2026-02-10T11:40:55,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2026-02-10T11:40:55,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2026-02-10T11:40:55,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2026-02-10T11:40:55,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2026-02-10T11:40:55,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2026-02-10T11:40:55,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2026-02-10T11:40:55,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2026-02-10T11:40:55,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2026-02-10T11:40:55,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2026-02-10T11:40:55,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2026-02-10T11:40:55,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2026-02-10T11:40:55,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2026-02-10T11:40:55,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2026-02-10T11:40:55,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2026-02-10T11:40:55,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2026-02-10T11:40:55,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2026-02-10T11:40:55,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2026-02-10T11:40:55,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2026-02-10T11:40:55,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2026-02-10T11:40:55,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2026-02-10T11:40:55,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2026-02-10T11:40:55,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2026-02-10T11:40:55,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2026-02-10T11:40:55,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2026-02-10T11:40:55,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2026-02-10T11:40:55,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2026-02-10T11:40:55,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2026-02-10T11:40:55,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2026-02-10T11:40:55,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2026-02-10T11:40:55,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2026-02-10T11:40:55,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2026-02-10T11:40:55,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:55,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2026-02-10T11:40:55,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2026-02-10T11:40:55,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2026-02-10T11:40:55,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2026-02-10T11:40:55,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2026-02-10T11:40:55,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:55,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2026-02-10T11:40:55,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2026-02-10T11:40:55,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2026-02-10T11:40:55,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2026-02-10T11:40:55,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2026-02-10T11:40:55,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2026-02-10T11:40:55,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2026-02-10T11:40:55,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2026-02-10T11:40:55,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2026-02-10T11:40:55,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2026-02-10T11:40:55,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2026-02-10T11:40:55,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:55,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2026-02-10T11:40:55,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:55,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2026-02-10T11:40:55,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2026-02-10T11:40:55,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2026-02-10T11:40:55,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:55,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:40:55,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:55,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2026-02-10T11:40:55,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2026-02-10T11:40:55,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2026-02-10T11:40:55,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2026-02-10T11:40:55,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2026-02-10T11:40:55,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2026-02-10T11:40:55,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2026-02-10T11:40:55,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2026-02-10T11:40:55,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2026-02-10T11:40:55,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2026-02-10T11:40:55,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2026-02-10T11:40:55,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2026-02-10T11:40:55,300 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 2026-02-10T11:40:55,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:55,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2026-02-10T11:40:55,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2026-02-10T11:40:55,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2026-02-10T11:40:55,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:55,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2026-02-10T11:40:55,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2026-02-10T11:40:55,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2026-02-10T11:40:55,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:55,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2026-02-10T11:40:55,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2026-02-10T11:40:55,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2026-02-10T11:40:55,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2026-02-10T11:40:55,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2026-02-10T11:40:55,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:40:55,327 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 2026-02-10T11:40:55,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2026-02-10T11:40:55,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2026-02-10T11:40:55,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2026-02-10T11:40:55,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2026-02-10T11:40:55,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:55,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2026-02-10T11:40:55,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2026-02-10T11:40:55,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2026-02-10T11:40:55,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2026-02-10T11:40:55,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2026-02-10T11:40:55,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2026-02-10T11:40:55,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2026-02-10T11:40:55,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2026-02-10T11:40:55,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2026-02-10T11:40:55,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2026-02-10T11:40:55,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2026-02-10T11:40:55,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2026-02-10T11:40:55,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2026-02-10T11:40:55,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2026-02-10T11:40:55,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2026-02-10T11:40:55,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:55,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2026-02-10T11:40:55,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:55,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:40:55,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2026-02-10T11:40:55,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2026-02-10T11:40:55,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2026-02-10T11:40:55,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2026-02-10T11:40:55,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2026-02-10T11:40:55,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2026-02-10T11:40:55,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2026-02-10T11:40:55,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2026-02-10T11:40:55,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2026-02-10T11:40:55,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2026-02-10T11:40:55,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:55,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2026-02-10T11:40:55,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2026-02-10T11:40:55,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2026-02-10T11:40:55,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2026-02-10T11:40:55,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2026-02-10T11:40:55,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2026-02-10T11:40:55,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2026-02-10T11:40:55,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2026-02-10T11:40:55,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2026-02-10T11:40:55,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2026-02-10T11:40:55,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2026-02-10T11:40:55,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2026-02-10T11:40:55,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2026-02-10T11:40:55,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2026-02-10T11:40:55,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2026-02-10T11:40:55,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2026-02-10T11:40:55,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2026-02-10T11:40:55,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2026-02-10T11:40:55,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2026-02-10T11:40:55,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:40:55,431 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 2026-02-10T11:40:55,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:55,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2026-02-10T11:40:55,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2026-02-10T11:40:55,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2026-02-10T11:40:55,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2026-02-10T11:40:55,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2026-02-10T11:40:55,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2026-02-10T11:40:55,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2026-02-10T11:40:55,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2026-02-10T11:40:55,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2026-02-10T11:40:55,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:55,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2026-02-10T11:40:55,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2026-02-10T11:40:55,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2026-02-10T11:40:55,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2026-02-10T11:40:55,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2026-02-10T11:40:55,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:55,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2026-02-10T11:40:55,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2026-02-10T11:40:55,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2026-02-10T11:40:55,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2026-02-10T11:40:55,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2026-02-10T11:40:55,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:55,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2026-02-10T11:40:55,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2026-02-10T11:40:55,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2026-02-10T11:40:55,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2026-02-10T11:40:55,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2026-02-10T11:40:55,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:55,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2026-02-10T11:40:55,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:55,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2026-02-10T11:40:55,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2026-02-10T11:40:55,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2026-02-10T11:40:55,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:40:55,496 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 2026-02-10T11:40:55,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2026-02-10T11:40:55,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2026-02-10T11:40:55,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2026-02-10T11:40:55,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2026-02-10T11:40:55,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2026-02-10T11:40:55,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2026-02-10T11:40:55,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2026-02-10T11:40:55,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2026-02-10T11:40:55,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2026-02-10T11:40:55,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2026-02-10T11:40:55,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2026-02-10T11:40:55,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2026-02-10T11:40:55,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:55,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2026-02-10T11:40:55,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:55,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2026-02-10T11:40:55,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2026-02-10T11:40:55,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2026-02-10T11:40:55,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2026-02-10T11:40:55,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2026-02-10T11:40:55,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2026-02-10T11:40:55,538 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 2026-02-10T11:40:55,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2026-02-10T11:40:55,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2026-02-10T11:40:55,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2026-02-10T11:40:55,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2026-02-10T11:40:55,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2026-02-10T11:40:55,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2026-02-10T11:40:55,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:55,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2026-02-10T11:40:55,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2026-02-10T11:40:55,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2026-02-10T11:40:55,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2026-02-10T11:40:55,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2026-02-10T11:40:55,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2026-02-10T11:40:55,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2026-02-10T11:40:55,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2026-02-10T11:40:55,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2026-02-10T11:40:55,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2026-02-10T11:40:55,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2026-02-10T11:40:55,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2026-02-10T11:40:55,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2026-02-10T11:40:55,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2026-02-10T11:40:55,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2026-02-10T11:40:55,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:55,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2026-02-10T11:40:55,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2026-02-10T11:40:55,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2026-02-10T11:40:55,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2026-02-10T11:40:55,588 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 2026-02-10T11:40:55,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2026-02-10T11:40:55,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2026-02-10T11:40:55,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2026-02-10T11:40:55,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2026-02-10T11:40:55,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2026-02-10T11:40:55,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2026-02-10T11:40:55,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2026-02-10T11:40:55,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2026-02-10T11:40:55,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2026-02-10T11:40:55,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2026-02-10T11:40:55,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2026-02-10T11:40:55,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2026-02-10T11:40:55,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:55,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2026-02-10T11:40:55,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2026-02-10T11:40:55,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2026-02-10T11:40:55,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2026-02-10T11:40:55,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2026-02-10T11:40:55,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2026-02-10T11:40:55,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2026-02-10T11:40:55,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2026-02-10T11:40:55,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2026-02-10T11:40:55,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2026-02-10T11:40:55,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2026-02-10T11:40:55,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2026-02-10T11:40:55,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2026-02-10T11:40:55,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2026-02-10T11:40:55,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2026-02-10T11:40:55,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:55,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2026-02-10T11:40:55,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:55,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2026-02-10T11:40:55,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:55,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2026-02-10T11:40:55,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:55,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2026-02-10T11:40:55,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2026-02-10T11:40:55,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2026-02-10T11:40:55,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2026-02-10T11:40:55,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2026-02-10T11:40:55,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2026-02-10T11:40:55,657 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 2026-02-10T11:40:55,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2026-02-10T11:40:55,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2026-02-10T11:40:55,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2026-02-10T11:40:55,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2026-02-10T11:40:55,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2026-02-10T11:40:55,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2026-02-10T11:40:55,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:40:55,669 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 2026-02-10T11:40:55,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2026-02-10T11:40:55,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2026-02-10T11:40:55,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2026-02-10T11:40:55,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2026-02-10T11:40:55,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2026-02-10T11:40:55,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2026-02-10T11:40:55,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:40:55,684 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 2026-02-10T11:40:55,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2026-02-10T11:40:55,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2026-02-10T11:40:55,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2026-02-10T11:40:55,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2026-02-10T11:40:55,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2026-02-10T11:40:55,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2026-02-10T11:40:55,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:40:55,700 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 2026-02-10T11:40:55,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:40:55,703 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 2026-02-10T11:40:55,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2026-02-10T11:40:55,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2026-02-10T11:40:55,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2026-02-10T11:40:55,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2026-02-10T11:40:55,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:55,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2026-02-10T11:40:55,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:55,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2026-02-10T11:40:55,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2026-02-10T11:40:55,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2026-02-10T11:40:55,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:55,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:40:55,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2026-02-10T11:40:55,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2026-02-10T11:40:55,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2026-02-10T11:40:55,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2026-02-10T11:40:55,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:55,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2026-02-10T11:40:55,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2026-02-10T11:40:55,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2026-02-10T11:40:55,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2026-02-10T11:40:55,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2026-02-10T11:40:55,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2026-02-10T11:40:55,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2026-02-10T11:40:55,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2026-02-10T11:40:55,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2026-02-10T11:40:55,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2026-02-10T11:40:55,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2026-02-10T11:40:55,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2026-02-10T11:40:55,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2026-02-10T11:40:55,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:55,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:40:55,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:55,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:40:55,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:55,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:40:55,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:55,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:40:55,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:55,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:40:55,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:55,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:40:55,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:55,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:40:55,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:55,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:40:55,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:55,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:40:55,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:55,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:40:55,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:55,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:40:55,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:55,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:40:55,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:55,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:40:55,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:55,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:40:55,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:55,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:40:55,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:55,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:40:55,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:55,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:40:55,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:55,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:40:55,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:55,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:40:55,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:55,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:40:55,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:55,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:40:55,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:55,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:40:55,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:55,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:40:55,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:55,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:40:55,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:55,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2026-02-10T11:40:55,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:55,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:40:55,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:55,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:40:55,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:55,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:40:55,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:55,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:40:55,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:55,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:40:55,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:55,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:40:55,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:55,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:40:55,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:55,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:40:55,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:55,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:40:55,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:55,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2026-02-10T11:40:55,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:55,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:40:55,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:55,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:40:55,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:55,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:40:55,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:55,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:40:55,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:55,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:40:55,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:55,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:40:55,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:55,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:40:55,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:55,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2026-02-10T11:40:55,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:55,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2026-02-10T11:40:55,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2026-02-10T11:40:55,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2026-02-10T11:40:55,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:55,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:40:55,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2026-02-10T11:40:55,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2026-02-10T11:40:55,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:55,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2026-02-10T11:40:55,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:55,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2026-02-10T11:40:55,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:55,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2026-02-10T11:40:55,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:55,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2026-02-10T11:40:55,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:55,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:40:55,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2026-02-10T11:40:55,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2026-02-10T11:40:55,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:55,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2026-02-10T11:40:55,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:55,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:40:55,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2026-02-10T11:40:55,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2026-02-10T11:40:55,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:55,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:40:55,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:55,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2026-02-10T11:40:55,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:55,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:40:55,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:55,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2026-02-10T11:40:55,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:55,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2026-02-10T11:40:55,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2026-02-10T11:40:55,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2026-02-10T11:40:56,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2026-02-10T11:40:56,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2026-02-10T11:40:56,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2026-02-10T11:40:56,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2026-02-10T11:40:56,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2026-02-10T11:40:56,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2026-02-10T11:40:56,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2026-02-10T11:40:56,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2026-02-10T11:40:56,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2026-02-10T11:40:56,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2026-02-10T11:40:56,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2026-02-10T11:40:56,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2026-02-10T11:40:56,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2026-02-10T11:40:56,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2026-02-10T11:40:56,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2026-02-10T11:40:56,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2026-02-10T11:40:56,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2026-02-10T11:40:56,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2026-02-10T11:40:56,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2026-02-10T11:40:56,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2026-02-10T11:40:56,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2026-02-10T11:40:56,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2026-02-10T11:40:56,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2026-02-10T11:40:56,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2026-02-10T11:40:56,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2026-02-10T11:40:56,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2026-02-10T11:40:56,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2026-02-10T11:40:56,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2026-02-10T11:40:56,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2026-02-10T11:40:56,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2026-02-10T11:40:56,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2026-02-10T11:40:56,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2026-02-10T11:40:56,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2026-02-10T11:40:56,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2026-02-10T11:40:56,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2026-02-10T11:40:56,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2026-02-10T11:40:56,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2026-02-10T11:40:56,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2026-02-10T11:40:56,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2026-02-10T11:40:56,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2026-02-10T11:40:56,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2026-02-10T11:40:56,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2026-02-10T11:40:56,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2026-02-10T11:40:56,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2026-02-10T11:40:56,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2026-02-10T11:40:56,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2026-02-10T11:40:56,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2026-02-10T11:40:56,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2026-02-10T11:40:56,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2026-02-10T11:40:56,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2026-02-10T11:40:56,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2026-02-10T11:40:56,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2026-02-10T11:40:56,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2026-02-10T11:40:56,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2026-02-10T11:40:56,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2026-02-10T11:40:56,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2026-02-10T11:40:56,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2026-02-10T11:40:56,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2026-02-10T11:40:56,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2026-02-10T11:40:56,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2026-02-10T11:40:56,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2026-02-10T11:40:56,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2026-02-10T11:40:56,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2026-02-10T11:40:56,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2026-02-10T11:40:56,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2026-02-10T11:40:56,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2026-02-10T11:40:56,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2026-02-10T11:40:56,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2026-02-10T11:40:56,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2026-02-10T11:40:56,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2026-02-10T11:40:56,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2026-02-10T11:40:56,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2026-02-10T11:40:56,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2026-02-10T11:40:56,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2026-02-10T11:40:56,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2026-02-10T11:40:56,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2026-02-10T11:40:56,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2026-02-10T11:40:56,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2026-02-10T11:40:56,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2026-02-10T11:40:56,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2026-02-10T11:40:56,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2026-02-10T11:40:56,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2026-02-10T11:40:56,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2026-02-10T11:40:56,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2026-02-10T11:40:56,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2026-02-10T11:40:56,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2026-02-10T11:40:56,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2026-02-10T11:40:56,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2026-02-10T11:40:56,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2026-02-10T11:40:56,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2026-02-10T11:40:56,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2026-02-10T11:40:56,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2026-02-10T11:40:56,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2026-02-10T11:40:56,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2026-02-10T11:40:56,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2026-02-10T11:40:56,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2026-02-10T11:40:56,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2026-02-10T11:40:56,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2026-02-10T11:40:56,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2026-02-10T11:40:56,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2026-02-10T11:40:56,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2026-02-10T11:40:56,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2026-02-10T11:40:56,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2026-02-10T11:40:56,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2026-02-10T11:40:56,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2026-02-10T11:40:56,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2026-02-10T11:40:56,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2026-02-10T11:40:56,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2026-02-10T11:40:56,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2026-02-10T11:40:56,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2026-02-10T11:40:56,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2026-02-10T11:40:56,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2026-02-10T11:40:56,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2026-02-10T11:40:56,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2026-02-10T11:40:56,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2026-02-10T11:40:56,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2026-02-10T11:40:56,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2026-02-10T11:40:56,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2026-02-10T11:40:56,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2026-02-10T11:40:56,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2026-02-10T11:40:56,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2026-02-10T11:40:56,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2026-02-10T11:40:56,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2026-02-10T11:40:56,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2026-02-10T11:40:56,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2026-02-10T11:40:56,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2026-02-10T11:40:56,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2026-02-10T11:40:56,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2026-02-10T11:40:56,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2026-02-10T11:40:56,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2026-02-10T11:40:56,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:56,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:40:56,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:56,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:40:56,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:56,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:40:56,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:56,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:40:56,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:56,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:40:56,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:56,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:40:56,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:56,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:40:56,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:56,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:40:56,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:56,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:40:56,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:56,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2026-02-10T11:40:56,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:56,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:40:56,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:56,269 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2026-02-10T11:40:56,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:56,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:40:56,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:56,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2026-02-10T11:40:56,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:56,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2026-02-10T11:40:56,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:56,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:40:56,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:56,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:40:56,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:56,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:40:56,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2026-02-10T11:40:56,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2026-02-10T11:40:56,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:56,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:40:56,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2026-02-10T11:40:56,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2026-02-10T11:40:56,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2026-02-10T11:40:56,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2026-02-10T11:40:56,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2026-02-10T11:40:56,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2026-02-10T11:40:56,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2026-02-10T11:40:56,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2026-02-10T11:40:56,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2026-02-10T11:40:56,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2026-02-10T11:40:56,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2026-02-10T11:40:56,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2026-02-10T11:40:56,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2026-02-10T11:40:56,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2026-02-10T11:40:56,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2026-02-10T11:40:56,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2026-02-10T11:40:56,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2026-02-10T11:40:56,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2026-02-10T11:40:56,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2026-02-10T11:40:56,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2026-02-10T11:40:56,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:56,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2026-02-10T11:40:56,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2026-02-10T11:40:56,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2026-02-10T11:40:56,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2026-02-10T11:40:56,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2026-02-10T11:40:56,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2026-02-10T11:40:56,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2026-02-10T11:40:56,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2026-02-10T11:40:56,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2026-02-10T11:40:56,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:56,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:40:56,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:56,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:40:56,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2026-02-10T11:40:56,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2026-02-10T11:40:56,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2026-02-10T11:40:56,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2026-02-10T11:40:56,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:56,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2026-02-10T11:40:56,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2026-02-10T11:40:56,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2026-02-10T11:40:56,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2026-02-10T11:40:56,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2026-02-10T11:40:56,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2026-02-10T11:40:56,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2026-02-10T11:40:56,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2026-02-10T11:40:56,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2026-02-10T11:40:56,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2026-02-10T11:40:56,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2026-02-10T11:40:56,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2026-02-10T11:40:56,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2026-02-10T11:40:56,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:56,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2026-02-10T11:40:56,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2026-02-10T11:40:56,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2026-02-10T11:40:56,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2026-02-10T11:40:56,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2026-02-10T11:40:56,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2026-02-10T11:40:56,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2026-02-10T11:40:56,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2026-02-10T11:40:56,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2026-02-10T11:40:56,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:56,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2026-02-10T11:40:56,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2026-02-10T11:40:56,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2026-02-10T11:40:56,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2026-02-10T11:40:56,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2026-02-10T11:40:56,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2026-02-10T11:40:56,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2026-02-10T11:40:56,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2026-02-10T11:40:56,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2026-02-10T11:40:56,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:56,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2026-02-10T11:40:56,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2026-02-10T11:40:56,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2026-02-10T11:40:56,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2026-02-10T11:40:56,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2026-02-10T11:40:56,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2026-02-10T11:40:56,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2026-02-10T11:40:56,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:56,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2026-02-10T11:40:56,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2026-02-10T11:40:56,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2026-02-10T11:40:56,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2026-02-10T11:40:56,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2026-02-10T11:40:56,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:56,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2026-02-10T11:40:56,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2026-02-10T11:40:56,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2026-02-10T11:40:56,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2026-02-10T11:40:56,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2026-02-10T11:40:56,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2026-02-10T11:40:56,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2026-02-10T11:40:56,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2026-02-10T11:40:56,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2026-02-10T11:40:56,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2026-02-10T11:40:56,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2026-02-10T11:40:56,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2026-02-10T11:40:56,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2026-02-10T11:40:56,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2026-02-10T11:40:56,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2026-02-10T11:40:56,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2026-02-10T11:40:56,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2026-02-10T11:40:56,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2026-02-10T11:40:56,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2026-02-10T11:40:56,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2026-02-10T11:40:56,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2026-02-10T11:40:56,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2026-02-10T11:40:56,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2026-02-10T11:40:56,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2026-02-10T11:40:56,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2026-02-10T11:40:56,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2026-02-10T11:40:56,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2026-02-10T11:40:56,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2026-02-10T11:40:56,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2026-02-10T11:40:56,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:56,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2026-02-10T11:40:56,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2026-02-10T11:40:56,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2026-02-10T11:40:56,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2026-02-10T11:40:56,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2026-02-10T11:40:56,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2026-02-10T11:40:56,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2026-02-10T11:40:56,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:56,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2026-02-10T11:40:56,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2026-02-10T11:40:56,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2026-02-10T11:40:56,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2026-02-10T11:40:56,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2026-02-10T11:40:56,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2026-02-10T11:40:56,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2026-02-10T11:40:56,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2026-02-10T11:40:56,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2026-02-10T11:40:56,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2026-02-10T11:40:56,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2026-02-10T11:40:56,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:56,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:40:56,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2026-02-10T11:40:56,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2026-02-10T11:40:56,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2026-02-10T11:40:56,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2026-02-10T11:40:56,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:56,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:40:56,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2026-02-10T11:40:56,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2026-02-10T11:40:56,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2026-02-10T11:40:56,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2026-02-10T11:40:56,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:56,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:40:56,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2026-02-10T11:40:56,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2026-02-10T11:40:56,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2026-02-10T11:40:56,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2026-02-10T11:40:56,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2026-02-10T11:40:56,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2026-02-10T11:40:56,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:56,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:40:56,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2026-02-10T11:40:56,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2026-02-10T11:40:56,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2026-02-10T11:40:56,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2026-02-10T11:40:56,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2026-02-10T11:40:56,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2026-02-10T11:40:56,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2026-02-10T11:40:56,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2026-02-10T11:40:56,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:56,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2026-02-10T11:40:56,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2026-02-10T11:40:56,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2026-02-10T11:40:56,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2026-02-10T11:40:56,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2026-02-10T11:40:56,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2026-02-10T11:40:56,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2026-02-10T11:40:56,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2026-02-10T11:40:56,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2026-02-10T11:40:56,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:56,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2026-02-10T11:40:56,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2026-02-10T11:40:56,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2026-02-10T11:40:56,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2026-02-10T11:40:56,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2026-02-10T11:40:56,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2026-02-10T11:40:56,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2026-02-10T11:40:56,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2026-02-10T11:40:56,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2026-02-10T11:40:56,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2026-02-10T11:40:56,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2026-02-10T11:40:56,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2026-02-10T11:40:56,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2026-02-10T11:40:56,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:56,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2026-02-10T11:40:56,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2026-02-10T11:40:56,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2026-02-10T11:40:56,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2026-02-10T11:40:56,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2026-02-10T11:40:56,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2026-02-10T11:40:56,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2026-02-10T11:40:56,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:56,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2026-02-10T11:40:56,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2026-02-10T11:40:56,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2026-02-10T11:40:56,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:56,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2026-02-10T11:40:56,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:56,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:40:56,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2026-02-10T11:40:56,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2026-02-10T11:40:56,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2026-02-10T11:40:56,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2026-02-10T11:40:56,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2026-02-10T11:40:56,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2026-02-10T11:40:56,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2026-02-10T11:40:56,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2026-02-10T11:40:56,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2026-02-10T11:40:56,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2026-02-10T11:40:56,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2026-02-10T11:40:56,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2026-02-10T11:40:56,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2026-02-10T11:40:56,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2026-02-10T11:40:56,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2026-02-10T11:40:56,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2026-02-10T11:40:56,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2026-02-10T11:40:56,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2026-02-10T11:40:56,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2026-02-10T11:40:56,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2026-02-10T11:40:56,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:56,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2026-02-10T11:40:56,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2026-02-10T11:40:56,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2026-02-10T11:40:56,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2026-02-10T11:40:56,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2026-02-10T11:40:56,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:56,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2026-02-10T11:40:56,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2026-02-10T11:40:56,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2026-02-10T11:40:56,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2026-02-10T11:40:56,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2026-02-10T11:40:56,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2026-02-10T11:40:56,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2026-02-10T11:40:56,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:56,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2026-02-10T11:40:56,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2026-02-10T11:40:56,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2026-02-10T11:40:56,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2026-02-10T11:40:56,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2026-02-10T11:40:56,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2026-02-10T11:40:56,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2026-02-10T11:40:56,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2026-02-10T11:40:56,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2026-02-10T11:40:56,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2026-02-10T11:40:56,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2026-02-10T11:40:56,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:56,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:40:56,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:56,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2026-02-10T11:40:56,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:56,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2026-02-10T11:40:56,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2026-02-10T11:40:56,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2026-02-10T11:40:56,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:56,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2026-02-10T11:40:56,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2026-02-10T11:40:56,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2026-02-10T11:40:56,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2026-02-10T11:40:56,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2026-02-10T11:40:56,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:56,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2026-02-10T11:40:56,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2026-02-10T11:40:56,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2026-02-10T11:40:56,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2026-02-10T11:40:56,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2026-02-10T11:40:56,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:56,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2026-02-10T11:40:56,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2026-02-10T11:40:56,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2026-02-10T11:40:56,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:56,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2026-02-10T11:40:56,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:56,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2026-02-10T11:40:56,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:56,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2026-02-10T11:40:56,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:56,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2026-02-10T11:40:56,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:56,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2026-02-10T11:40:56,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:56,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2026-02-10T11:40:56,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:56,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2026-02-10T11:40:56,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:56,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2026-02-10T11:40:56,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:56,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:40:56,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:56,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2026-02-10T11:40:56,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:56,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2026-02-10T11:40:56,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:56,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2026-02-10T11:40:56,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:56,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2026-02-10T11:40:56,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:56,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2026-02-10T11:40:56,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:56,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2026-02-10T11:40:56,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:56,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2026-02-10T11:40:56,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:56,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2026-02-10T11:40:56,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:56,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2026-02-10T11:40:56,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:56,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2026-02-10T11:40:56,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:56,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2026-02-10T11:40:56,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:56,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2026-02-10T11:40:56,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:56,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2026-02-10T11:40:56,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:56,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2026-02-10T11:40:56,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:56,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2026-02-10T11:40:56,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:56,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2026-02-10T11:40:56,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:56,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2026-02-10T11:40:56,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:56,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2026-02-10T11:40:56,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:56,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2026-02-10T11:40:56,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:56,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2026-02-10T11:40:56,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:56,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2026-02-10T11:40:56,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:56,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2026-02-10T11:40:56,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:56,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2026-02-10T11:40:56,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:56,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2026-02-10T11:40:56,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:56,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2026-02-10T11:40:56,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:56,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2026-02-10T11:40:56,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:56,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2026-02-10T11:40:56,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:56,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2026-02-10T11:40:56,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:56,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2026-02-10T11:40:56,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:56,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2026-02-10T11:40:56,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:56,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2026-02-10T11:40:56,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:56,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2026-02-10T11:40:56,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:56,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2026-02-10T11:40:56,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:56,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2026-02-10T11:40:56,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:56,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2026-02-10T11:40:56,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:56,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2026-02-10T11:40:56,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:56,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2026-02-10T11:40:56,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:56,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2026-02-10T11:40:56,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:56,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2026-02-10T11:40:56,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:56,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2026-02-10T11:40:56,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:56,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2026-02-10T11:40:56,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2026-02-10T11:40:56,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2026-02-10T11:40:56,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2026-02-10T11:40:56,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2026-02-10T11:40:56,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2026-02-10T11:40:56,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2026-02-10T11:40:56,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2026-02-10T11:40:56,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2026-02-10T11:40:56,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2026-02-10T11:40:56,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2026-02-10T11:40:56,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2026-02-10T11:40:56,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2026-02-10T11:40:56,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2026-02-10T11:40:56,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2026-02-10T11:40:56,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2026-02-10T11:40:56,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2026-02-10T11:40:56,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2026-02-10T11:40:56,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2026-02-10T11:40:56,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2026-02-10T11:40:56,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2026-02-10T11:40:56,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2026-02-10T11:40:56,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2026-02-10T11:40:57,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2026-02-10T11:40:57,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2026-02-10T11:40:57,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2026-02-10T11:40:57,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2026-02-10T11:40:57,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2026-02-10T11:40:57,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2026-02-10T11:40:57,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2026-02-10T11:40:57,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2026-02-10T11:40:57,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2026-02-10T11:40:57,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2026-02-10T11:40:57,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2026-02-10T11:40:57,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2026-02-10T11:40:57,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2026-02-10T11:40:57,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2026-02-10T11:40:57,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2026-02-10T11:40:57,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2026-02-10T11:40:57,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2026-02-10T11:40:57,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2026-02-10T11:40:57,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2026-02-10T11:40:57,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2026-02-10T11:40:57,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2026-02-10T11:40:57,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2026-02-10T11:40:57,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2026-02-10T11:40:57,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2026-02-10T11:40:57,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2026-02-10T11:40:57,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2026-02-10T11:40:57,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2026-02-10T11:40:57,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2026-02-10T11:40:57,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2026-02-10T11:40:57,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2026-02-10T11:40:57,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2026-02-10T11:40:57,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2026-02-10T11:40:57,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2026-02-10T11:40:57,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2026-02-10T11:40:57,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2026-02-10T11:40:57,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2026-02-10T11:40:57,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2026-02-10T11:40:57,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2026-02-10T11:40:57,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2026-02-10T11:40:57,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2026-02-10T11:40:57,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2026-02-10T11:40:57,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2026-02-10T11:40:57,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2026-02-10T11:40:57,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2026-02-10T11:40:57,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2026-02-10T11:40:57,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2026-02-10T11:40:57,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2026-02-10T11:40:57,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2026-02-10T11:40:57,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2026-02-10T11:40:57,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2026-02-10T11:40:57,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2026-02-10T11:40:57,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2026-02-10T11:40:57,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2026-02-10T11:40:57,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2026-02-10T11:40:57,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2026-02-10T11:40:57,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2026-02-10T11:40:57,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2026-02-10T11:40:57,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2026-02-10T11:40:57,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2026-02-10T11:40:57,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2026-02-10T11:40:57,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2026-02-10T11:40:57,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2026-02-10T11:40:57,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2026-02-10T11:40:57,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2026-02-10T11:40:57,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2026-02-10T11:40:57,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2026-02-10T11:40:57,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2026-02-10T11:40:57,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2026-02-10T11:40:57,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2026-02-10T11:40:57,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2026-02-10T11:40:57,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2026-02-10T11:40:57,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2026-02-10T11:40:57,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2026-02-10T11:40:57,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2026-02-10T11:40:57,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2026-02-10T11:40:57,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2026-02-10T11:40:57,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2026-02-10T11:40:57,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2026-02-10T11:40:57,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2026-02-10T11:40:57,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2026-02-10T11:40:57,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2026-02-10T11:40:57,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2026-02-10T11:40:57,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2026-02-10T11:40:57,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2026-02-10T11:40:57,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2026-02-10T11:40:57,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2026-02-10T11:40:57,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2026-02-10T11:40:57,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2026-02-10T11:40:57,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2026-02-10T11:40:57,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2026-02-10T11:40:57,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:57,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2026-02-10T11:40:57,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2026-02-10T11:40:57,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2026-02-10T11:40:57,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:57,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2026-02-10T11:40:57,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2026-02-10T11:40:57,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2026-02-10T11:40:57,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2026-02-10T11:40:57,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2026-02-10T11:40:57,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2026-02-10T11:40:57,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2026-02-10T11:40:57,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:57,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2026-02-10T11:40:57,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2026-02-10T11:40:57,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2026-02-10T11:40:57,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2026-02-10T11:40:57,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2026-02-10T11:40:57,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:40:57,215 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 2026-02-10T11:40:57,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:57,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2026-02-10T11:40:57,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2026-02-10T11:40:57,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2026-02-10T11:40:57,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:40:57,226 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 2026-02-10T11:40:57,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2026-02-10T11:40:57,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2026-02-10T11:40:57,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:57,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2026-02-10T11:40:57,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:40:57,236 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 2026-02-10T11:40:57,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:57,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2026-02-10T11:40:57,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:57,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2026-02-10T11:40:57,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2026-02-10T11:40:57,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2026-02-10T11:40:57,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:57,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2026-02-10T11:40:57,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:57,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2026-02-10T11:40:57,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2026-02-10T11:40:57,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2026-02-10T11:40:57,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:40:57,261 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 2026-02-10T11:40:57,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2026-02-10T11:40:57,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2026-02-10T11:40:57,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:57,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2026-02-10T11:40:57,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:57,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2026-02-10T11:40:57,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:40:57,276 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 2026-02-10T11:40:57,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2026-02-10T11:40:57,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2026-02-10T11:40:57,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:40:57,285 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 2026-02-10T11:40:57,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:40:57,289 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 2026-02-10T11:40:57,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:40:57,293 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 2026-02-10T11:40:57,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:40:57,296 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 2026-02-10T11:40:57,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:40:57,299 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 2026-02-10T11:40:57,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:40:57,303 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 2026-02-10T11:40:57,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:40:57,308 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 2026-02-10T11:40:57,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:40:57,312 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 2026-02-10T11:40:57,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:40:57,316 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 2026-02-10T11:40:57,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:40:57,320 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 2026-02-10T11:40:57,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:40:57,323 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 2026-02-10T11:40:57,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:57,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2026-02-10T11:40:57,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:57,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2026-02-10T11:40:57,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:57,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:40:57,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:40:57,338 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 2026-02-10T11:40:57,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:40:57,342 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 2026-02-10T11:40:57,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:57,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:40:57,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:40:57,350 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 2026-02-10T11:40:57,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:57,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2026-02-10T11:40:57,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:40:57,357 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 2026-02-10T11:40:57,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2026-02-10T11:40:57,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2026-02-10T11:40:57,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2026-02-10T11:40:57,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2026-02-10T11:40:57,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2026-02-10T11:40:57,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2026-02-10T11:40:57,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2026-02-10T11:40:57,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2026-02-10T11:40:57,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:57,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2026-02-10T11:40:57,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2026-02-10T11:40:57,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2026-02-10T11:40:57,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2026-02-10T11:40:57,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2026-02-10T11:40:57,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:57,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:40:57,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:57,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:40:57,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:57,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:40:57,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2026-02-10T11:40:57,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2026-02-10T11:40:57,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2026-02-10T11:40:57,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2026-02-10T11:40:57,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:57,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:40:57,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2026-02-10T11:40:57,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2026-02-10T11:40:57,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:57,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:40:57,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:57,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:40:57,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2026-02-10T11:40:57,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2026-02-10T11:40:57,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:57,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:40:57,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2026-02-10T11:40:57,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2026-02-10T11:40:57,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2026-02-10T11:40:57,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2026-02-10T11:40:57,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:57,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:40:57,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:57,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:40:57,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:57,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2026-02-10T11:40:57,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:57,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2026-02-10T11:40:57,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:57,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2026-02-10T11:40:57,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:57,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2026-02-10T11:40:57,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:57,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2026-02-10T11:40:57,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:57,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2026-02-10T11:40:57,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:57,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2026-02-10T11:40:57,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:57,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2026-02-10T11:40:57,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:57,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2026-02-10T11:40:57,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:57,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2026-02-10T11:40:57,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:57,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2026-02-10T11:40:57,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:57,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2026-02-10T11:40:57,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:57,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2026-02-10T11:40:57,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:57,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2026-02-10T11:40:57,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:57,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2026-02-10T11:40:57,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:57,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2026-02-10T11:40:57,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:57,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2026-02-10T11:40:57,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:57,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2026-02-10T11:40:57,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:57,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2026-02-10T11:40:57,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:57,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2026-02-10T11:40:57,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:57,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2026-02-10T11:40:57,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:57,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2026-02-10T11:40:57,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:57,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2026-02-10T11:40:57,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:57,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2026-02-10T11:40:57,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:57,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2026-02-10T11:40:57,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:57,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2026-02-10T11:40:57,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:57,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2026-02-10T11:40:57,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:57,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2026-02-10T11:40:57,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:57,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2026-02-10T11:40:57,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:57,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2026-02-10T11:40:57,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:57,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2026-02-10T11:40:57,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:57,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2026-02-10T11:40:57,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:57,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2026-02-10T11:40:57,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:57,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2026-02-10T11:40:57,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:57,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2026-02-10T11:40:57,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:57,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2026-02-10T11:40:57,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:57,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2026-02-10T11:40:57,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:57,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2026-02-10T11:40:57,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:57,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2026-02-10T11:40:57,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:57,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2026-02-10T11:40:57,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:57,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2026-02-10T11:40:57,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:57,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2026-02-10T11:40:57,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:57,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2026-02-10T11:40:57,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:57,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2026-02-10T11:40:57,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:57,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2026-02-10T11:40:57,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:57,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2026-02-10T11:40:57,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:57,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2026-02-10T11:40:57,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:57,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2026-02-10T11:40:57,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:57,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2026-02-10T11:40:57,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:57,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2026-02-10T11:40:57,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:57,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2026-02-10T11:40:57,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:57,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:40:57,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:57,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:40:57,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:57,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:40:57,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:57,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:40:57,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:57,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2026-02-10T11:40:57,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:57,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2026-02-10T11:40:57,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:40:57,640 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 2026-02-10T11:40:57,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:57,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2026-02-10T11:40:57,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:40:57,646 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 2026-02-10T11:40:57,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:40:57,649 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 2026-02-10T11:40:57,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:57,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2026-02-10T11:40:57,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:57,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2026-02-10T11:40:57,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2026-02-10T11:40:57,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2026-02-10T11:40:57,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:57,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2026-02-10T11:40:57,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:40:57,666 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 2026-02-10T11:40:57,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:57,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2026-02-10T11:40:57,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2026-02-10T11:40:57,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2026-02-10T11:40:57,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:57,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2026-02-10T11:40:57,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:57,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2026-02-10T11:40:57,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:57,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:40:57,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:57,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:40:57,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:57,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:40:57,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:57,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:40:57,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:57,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:40:57,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2026-02-10T11:40:57,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2026-02-10T11:40:57,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:57,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2026-02-10T11:40:57,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:57,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:40:57,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2026-02-10T11:40:57,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2026-02-10T11:40:57,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:57,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:40:57,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:57,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2026-02-10T11:40:57,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:57,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:40:57,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2026-02-10T11:40:57,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2026-02-10T11:40:57,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:57,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2026-02-10T11:40:57,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:57,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:40:57,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:57,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2026-02-10T11:40:57,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:57,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2026-02-10T11:40:57,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:57,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:40:57,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:57,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2026-02-10T11:40:57,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:57,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2026-02-10T11:40:57,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:57,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2026-02-10T11:40:57,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:57,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:40:57,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:40:57,762 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 2026-02-10T11:40:57,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:57,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2026-02-10T11:40:57,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:57,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2026-02-10T11:40:57,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:57,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2026-02-10T11:40:57,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2026-02-10T11:40:57,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2026-02-10T11:40:57,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2026-02-10T11:40:57,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2026-02-10T11:40:57,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:57,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2026-02-10T11:40:57,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:57,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2026-02-10T11:40:57,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:57,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2026-02-10T11:40:57,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2026-02-10T11:40:57,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2026-02-10T11:40:57,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:57,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:40:57,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:57,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:40:57,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:57,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2026-02-10T11:40:57,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:40:57,806 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 2026-02-10T11:40:57,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:57,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2026-02-10T11:40:57,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:40:57,812 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 2026-02-10T11:40:57,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:57,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2026-02-10T11:40:57,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2026-02-10T11:40:57,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2026-02-10T11:40:57,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2026-02-10T11:40:57,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2026-02-10T11:40:57,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2026-02-10T11:40:57,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2026-02-10T11:40:57,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2026-02-10T11:40:57,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2026-02-10T11:40:57,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2026-02-10T11:40:57,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2026-02-10T11:40:57,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2026-02-10T11:40:57,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2026-02-10T11:40:57,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2026-02-10T11:40:57,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2026-02-10T11:40:57,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2026-02-10T11:40:57,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2026-02-10T11:40:57,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2026-02-10T11:40:57,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2026-02-10T11:40:57,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2026-02-10T11:40:57,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2026-02-10T11:40:57,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2026-02-10T11:40:57,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2026-02-10T11:40:57,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2026-02-10T11:40:57,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2026-02-10T11:40:57,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2026-02-10T11:40:57,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2026-02-10T11:40:57,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2026-02-10T11:40:57,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2026-02-10T11:40:57,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2026-02-10T11:40:57,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2026-02-10T11:40:57,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2026-02-10T11:40:57,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2026-02-10T11:40:57,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2026-02-10T11:40:57,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2026-02-10T11:40:57,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2026-02-10T11:40:57,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2026-02-10T11:40:57,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2026-02-10T11:40:57,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2026-02-10T11:40:57,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2026-02-10T11:40:57,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2026-02-10T11:40:57,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2026-02-10T11:40:57,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2026-02-10T11:40:57,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2026-02-10T11:40:57,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2026-02-10T11:40:57,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2026-02-10T11:40:57,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2026-02-10T11:40:57,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2026-02-10T11:40:57,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2026-02-10T11:40:57,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2026-02-10T11:40:57,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2026-02-10T11:40:57,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2026-02-10T11:40:57,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2026-02-10T11:40:57,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2026-02-10T11:40:57,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2026-02-10T11:40:57,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2026-02-10T11:40:57,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2026-02-10T11:40:57,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2026-02-10T11:40:57,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2026-02-10T11:40:57,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2026-02-10T11:40:57,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2026-02-10T11:40:57,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2026-02-10T11:40:57,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2026-02-10T11:40:57,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2026-02-10T11:40:57,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2026-02-10T11:40:57,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2026-02-10T11:40:57,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2026-02-10T11:40:57,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2026-02-10T11:40:57,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2026-02-10T11:40:57,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2026-02-10T11:40:57,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2026-02-10T11:40:57,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2026-02-10T11:40:57,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2026-02-10T11:40:57,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2026-02-10T11:40:57,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2026-02-10T11:40:57,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2026-02-10T11:40:57,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2026-02-10T11:40:57,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2026-02-10T11:40:57,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2026-02-10T11:40:57,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2026-02-10T11:40:57,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2026-02-10T11:40:57,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2026-02-10T11:40:57,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2026-02-10T11:40:57,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2026-02-10T11:40:57,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2026-02-10T11:40:57,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2026-02-10T11:40:57,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2026-02-10T11:40:57,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2026-02-10T11:40:57,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2026-02-10T11:40:57,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2026-02-10T11:40:57,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2026-02-10T11:40:57,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2026-02-10T11:40:57,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2026-02-10T11:40:58,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2026-02-10T11:40:58,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2026-02-10T11:40:58,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2026-02-10T11:40:58,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2026-02-10T11:40:58,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2026-02-10T11:40:58,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2026-02-10T11:40:58,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2026-02-10T11:40:58,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2026-02-10T11:40:58,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2026-02-10T11:40:58,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2026-02-10T11:40:58,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2026-02-10T11:40:58,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2026-02-10T11:40:58,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2026-02-10T11:40:58,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2026-02-10T11:40:58,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2026-02-10T11:40:58,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2026-02-10T11:40:58,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2026-02-10T11:40:58,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2026-02-10T11:40:58,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2026-02-10T11:40:58,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2026-02-10T11:40:58,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2026-02-10T11:40:58,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2026-02-10T11:40:58,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2026-02-10T11:40:58,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2026-02-10T11:40:58,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2026-02-10T11:40:58,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2026-02-10T11:40:58,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2026-02-10T11:40:58,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2026-02-10T11:40:58,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2026-02-10T11:40:58,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2026-02-10T11:40:58,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2026-02-10T11:40:58,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2026-02-10T11:40:58,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2026-02-10T11:40:58,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2026-02-10T11:40:58,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:58,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2026-02-10T11:40:58,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:58,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:40:58,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:58,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:40:58,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:58,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2026-02-10T11:40:58,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:58,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:40:58,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:58,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2026-02-10T11:40:58,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:58,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:40:58,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:58,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2026-02-10T11:40:58,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:58,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2026-02-10T11:40:58,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:58,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2026-02-10T11:40:58,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:58,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2026-02-10T11:40:58,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:58,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2026-02-10T11:40:58,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:58,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2026-02-10T11:40:58,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:58,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2026-02-10T11:40:58,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:58,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2026-02-10T11:40:58,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:58,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2026-02-10T11:40:58,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:58,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:40:58,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:58,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:40:58,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:58,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:40:58,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:58,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2026-02-10T11:40:58,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:58,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2026-02-10T11:40:58,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:58,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2026-02-10T11:40:58,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:58,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2026-02-10T11:40:58,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:58,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2026-02-10T11:40:58,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:58,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2026-02-10T11:40:58,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:58,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:40:58,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:58,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2026-02-10T11:40:58,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:58,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:40:58,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:58,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2026-02-10T11:40:58,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:58,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2026-02-10T11:40:58,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:58,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2026-02-10T11:40:58,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:58,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2026-02-10T11:40:58,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:58,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2026-02-10T11:40:58,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:58,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2026-02-10T11:40:58,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:58,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2026-02-10T11:40:58,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:58,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2026-02-10T11:40:58,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:58,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2026-02-10T11:40:58,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:58,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2026-02-10T11:40:58,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:58,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2026-02-10T11:40:58,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:58,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2026-02-10T11:40:58,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:58,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2026-02-10T11:40:58,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:58,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2026-02-10T11:40:58,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:58,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2026-02-10T11:40:58,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:58,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2026-02-10T11:40:58,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:58,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2026-02-10T11:40:58,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:58,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2026-02-10T11:40:58,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:58,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2026-02-10T11:40:58,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:58,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2026-02-10T11:40:58,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2026-02-10T11:40:58,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2026-02-10T11:40:58,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2026-02-10T11:40:58,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2026-02-10T11:40:58,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2026-02-10T11:40:58,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2026-02-10T11:40:58,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:58,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2026-02-10T11:40:58,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2026-02-10T11:40:58,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2026-02-10T11:40:58,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2026-02-10T11:40:58,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2026-02-10T11:40:58,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2026-02-10T11:40:58,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2026-02-10T11:40:58,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2026-02-10T11:40:58,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2026-02-10T11:40:58,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2026-02-10T11:40:58,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2026-02-10T11:40:58,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2026-02-10T11:40:58,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2026-02-10T11:40:58,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2026-02-10T11:40:58,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2026-02-10T11:40:58,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2026-02-10T11:40:58,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2026-02-10T11:40:58,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2026-02-10T11:40:58,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2026-02-10T11:40:58,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2026-02-10T11:40:58,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2026-02-10T11:40:58,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2026-02-10T11:40:58,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2026-02-10T11:40:58,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2026-02-10T11:40:58,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2026-02-10T11:40:58,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2026-02-10T11:40:58,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2026-02-10T11:40:58,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2026-02-10T11:40:58,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2026-02-10T11:40:58,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2026-02-10T11:40:58,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2026-02-10T11:40:58,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2026-02-10T11:40:58,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2026-02-10T11:40:58,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2026-02-10T11:40:58,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2026-02-10T11:40:58,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2026-02-10T11:40:58,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2026-02-10T11:40:58,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2026-02-10T11:40:58,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2026-02-10T11:40:58,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2026-02-10T11:40:58,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2026-02-10T11:40:58,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2026-02-10T11:40:58,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2026-02-10T11:40:58,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2026-02-10T11:40:58,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2026-02-10T11:40:58,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2026-02-10T11:40:58,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2026-02-10T11:40:58,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2026-02-10T11:40:58,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2026-02-10T11:40:58,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2026-02-10T11:40:58,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2026-02-10T11:40:58,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2026-02-10T11:40:58,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2026-02-10T11:40:58,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2026-02-10T11:40:58,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2026-02-10T11:40:58,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2026-02-10T11:40:58,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2026-02-10T11:40:58,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2026-02-10T11:40:58,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2026-02-10T11:40:58,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2026-02-10T11:40:58,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2026-02-10T11:40:58,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2026-02-10T11:40:58,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2026-02-10T11:40:58,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2026-02-10T11:40:58,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2026-02-10T11:40:58,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2026-02-10T11:40:58,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2026-02-10T11:40:58,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2026-02-10T11:40:58,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2026-02-10T11:40:58,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2026-02-10T11:40:58,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2026-02-10T11:40:58,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:58,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:40:58,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:40:58,397 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 2026-02-10T11:40:58,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:58,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2026-02-10T11:40:58,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:58,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2026-02-10T11:40:58,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2026-02-10T11:40:58,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2026-02-10T11:40:58,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:58,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2026-02-10T11:40:58,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2026-02-10T11:40:58,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2026-02-10T11:40:58,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2026-02-10T11:40:58,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2026-02-10T11:40:58,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:58,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:40:58,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2026-02-10T11:40:58,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2026-02-10T11:40:58,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2026-02-10T11:40:58,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2026-02-10T11:40:58,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:40:58,433 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 2026-02-10T11:40:58,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2026-02-10T11:40:58,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2026-02-10T11:40:58,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2026-02-10T11:40:58,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2026-02-10T11:40:58,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:58,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2026-02-10T11:40:58,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:58,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2026-02-10T11:40:58,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:58,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2026-02-10T11:40:58,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:58,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2026-02-10T11:40:58,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:58,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2026-02-10T11:40:58,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:58,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2026-02-10T11:40:58,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:58,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2026-02-10T11:40:58,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:58,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2026-02-10T11:40:58,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:58,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2026-02-10T11:40:58,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:58,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2026-02-10T11:40:58,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:58,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2026-02-10T11:40:58,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:58,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2026-02-10T11:40:58,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:58,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2026-02-10T11:40:58,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:58,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2026-02-10T11:40:58,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2026-02-10T11:40:58,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2026-02-10T11:40:58,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2026-02-10T11:40:58,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2026-02-10T11:40:58,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2026-02-10T11:40:58,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2026-02-10T11:40:58,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2026-02-10T11:40:58,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2026-02-10T11:40:58,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2026-02-10T11:40:58,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2026-02-10T11:40:58,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2026-02-10T11:40:58,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2026-02-10T11:40:58,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2026-02-10T11:40:58,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2026-02-10T11:40:58,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2026-02-10T11:40:58,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2026-02-10T11:40:58,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2026-02-10T11:40:58,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2026-02-10T11:40:58,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2026-02-10T11:40:58,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2026-02-10T11:40:58,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2026-02-10T11:40:58,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2026-02-10T11:40:58,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2026-02-10T11:40:58,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2026-02-10T11:40:58,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2026-02-10T11:40:58,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2026-02-10T11:40:58,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2026-02-10T11:40:58,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2026-02-10T11:40:58,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2026-02-10T11:40:58,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2026-02-10T11:40:58,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2026-02-10T11:40:58,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2026-02-10T11:40:58,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2026-02-10T11:40:58,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2026-02-10T11:40:58,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2026-02-10T11:40:58,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2026-02-10T11:40:58,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2026-02-10T11:40:58,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2026-02-10T11:40:58,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2026-02-10T11:40:58,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2026-02-10T11:40:58,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2026-02-10T11:40:58,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2026-02-10T11:40:58,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2026-02-10T11:40:58,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2026-02-10T11:40:58,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2026-02-10T11:40:58,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2026-02-10T11:40:58,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2026-02-10T11:40:58,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2026-02-10T11:40:58,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:58,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:40:58,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:58,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:40:58,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:58,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:40:58,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:58,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:40:58,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:58,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:40:58,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:58,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:40:58,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:58,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:40:58,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:58,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:40:58,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:58,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:40:58,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:58,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:40:58,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:58,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:40:58,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:58,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:40:58,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:58,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:40:58,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:58,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:40:58,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:58,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2026-02-10T11:40:58,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:58,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:40:58,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:58,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:40:58,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:58,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:40:58,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:58,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:40:58,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:58,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:40:58,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:58,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:40:58,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:58,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2026-02-10T11:40:58,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:58,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:40:58,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:58,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:40:58,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:58,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:40:58,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:58,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:40:58,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:58,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:40:58,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:40:58,714 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+ 2026-02-10T11:40:58,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:58,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2026-02-10T11:40:58,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:58,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2026-02-10T11:40:58,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2026-02-10T11:40:58,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2026-02-10T11:40:58,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2026-02-10T11:40:58,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2026-02-10T11:40:58,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:58,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2026-02-10T11:40:58,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:40:58,745 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+ 2026-02-10T11:40:58,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:40:58,751 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- 2026-02-10T11:40:58,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:58,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2026-02-10T11:40:58,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:40:58,762 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- 2026-02-10T11:40:58,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:58,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2026-02-10T11:40:58,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:40:58,772 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- 2026-02-10T11:40:58,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:58,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2026-02-10T11:40:58,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:58,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2026-02-10T11:40:58,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:58,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2026-02-10T11:40:58,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:58,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2026-02-10T11:40:58,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:58,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2026-02-10T11:40:58,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:40:58,797 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- 2026-02-10T11:40:58,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2026-02-10T11:40:58,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2026-02-10T11:40:58,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2026-02-10T11:40:58,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2026-02-10T11:40:58,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:58,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2026-02-10T11:40:58,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2026-02-10T11:40:58,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2026-02-10T11:40:58,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2026-02-10T11:40:58,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2026-02-10T11:40:58,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2026-02-10T11:40:58,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2026-02-10T11:40:58,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:58,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2026-02-10T11:40:58,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2026-02-10T11:40:58,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2026-02-10T11:40:58,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:58,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2026-02-10T11:40:58,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2026-02-10T11:40:58,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2026-02-10T11:40:58,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2026-02-10T11:40:58,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2026-02-10T11:40:58,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2026-02-10T11:40:58,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2026-02-10T11:40:58,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2026-02-10T11:40:58,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2026-02-10T11:40:58,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2026-02-10T11:40:58,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2026-02-10T11:40:58,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2026-02-10T11:40:58,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2026-02-10T11:40:58,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2026-02-10T11:40:58,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2026-02-10T11:40:58,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:58,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2026-02-10T11:40:58,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2026-02-10T11:40:58,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2026-02-10T11:40:58,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2026-02-10T11:40:58,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2026-02-10T11:40:58,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2026-02-10T11:40:58,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2026-02-10T11:40:58,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2026-02-10T11:40:58,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2026-02-10T11:40:58,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2026-02-10T11:40:58,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2026-02-10T11:40:58,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2026-02-10T11:40:58,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2026-02-10T11:40:58,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2026-02-10T11:40:58,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2026-02-10T11:40:58,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2026-02-10T11:40:58,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2026-02-10T11:40:58,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2026-02-10T11:40:58,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2026-02-10T11:40:58,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:58,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2026-02-10T11:40:58,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2026-02-10T11:40:58,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2026-02-10T11:40:58,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2026-02-10T11:40:58,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2026-02-10T11:40:58,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2026-02-10T11:40:58,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2026-02-10T11:40:58,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2026-02-10T11:40:58,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2026-02-10T11:40:58,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2026-02-10T11:40:58,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2026-02-10T11:40:58,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2026-02-10T11:40:58,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2026-02-10T11:40:58,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:58,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2026-02-10T11:40:58,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2026-02-10T11:40:58,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2026-02-10T11:40:58,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2026-02-10T11:40:58,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2026-02-10T11:40:58,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2026-02-10T11:40:58,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2026-02-10T11:40:58,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2026-02-10T11:40:58,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2026-02-10T11:40:58,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:58,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2026-02-10T11:40:58,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2026-02-10T11:40:58,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2026-02-10T11:40:58,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2026-02-10T11:40:58,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2026-02-10T11:40:58,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2026-02-10T11:40:58,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2026-02-10T11:40:58,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2026-02-10T11:40:58,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2026-02-10T11:40:58,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2026-02-10T11:40:58,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2026-02-10T11:40:58,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2026-02-10T11:40:58,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2026-02-10T11:40:58,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2026-02-10T11:40:58,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2026-02-10T11:40:58,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2026-02-10T11:40:58,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2026-02-10T11:40:58,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2026-02-10T11:40:58,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2026-02-10T11:40:58,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2026-02-10T11:40:58,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2026-02-10T11:40:58,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2026-02-10T11:40:58,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2026-02-10T11:40:58,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:58,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2026-02-10T11:40:58,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2026-02-10T11:40:59,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2026-02-10T11:40:59,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:59,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2026-02-10T11:40:59,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2026-02-10T11:40:59,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2026-02-10T11:40:59,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2026-02-10T11:40:59,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2026-02-10T11:40:59,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2026-02-10T11:40:59,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2026-02-10T11:40:59,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2026-02-10T11:40:59,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2026-02-10T11:40:59,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2026-02-10T11:40:59,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2026-02-10T11:40:59,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:59,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2026-02-10T11:40:59,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:59,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2026-02-10T11:40:59,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:59,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2026-02-10T11:40:59,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:59,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2026-02-10T11:40:59,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:59,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2026-02-10T11:40:59,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:59,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:40:59,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:59,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2026-02-10T11:40:59,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:59,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2026-02-10T11:40:59,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:59,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2026-02-10T11:40:59,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:59,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2026-02-10T11:40:59,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:59,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2026-02-10T11:40:59,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:59,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2026-02-10T11:40:59,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2026-02-10T11:40:59,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2026-02-10T11:40:59,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:59,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2026-02-10T11:40:59,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2026-02-10T11:40:59,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2026-02-10T11:40:59,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2026-02-10T11:40:59,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2026-02-10T11:40:59,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:59,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2026-02-10T11:40:59,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:59,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:40:59,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:40:59,131 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 2026-02-10T11:40:59,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:59,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2026-02-10T11:40:59,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2026-02-10T11:40:59,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2026-02-10T11:40:59,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:59,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2026-02-10T11:40:59,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:59,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2026-02-10T11:40:59,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:59,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2026-02-10T11:40:59,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:59,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:40:59,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:59,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2026-02-10T11:40:59,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2026-02-10T11:40:59,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2026-02-10T11:40:59,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2026-02-10T11:40:59,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2026-02-10T11:40:59,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:59,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:40:59,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:59,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:40:59,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:59,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2026-02-10T11:40:59,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2026-02-10T11:40:59,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2026-02-10T11:40:59,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2026-02-10T11:40:59,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2026-02-10T11:40:59,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:59,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2026-02-10T11:40:59,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:59,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2026-02-10T11:40:59,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2026-02-10T11:40:59,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2026-02-10T11:40:59,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:59,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2026-02-10T11:40:59,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:59,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2026-02-10T11:40:59,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:59,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2026-02-10T11:40:59,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2026-02-10T11:40:59,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2026-02-10T11:40:59,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:59,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2026-02-10T11:40:59,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:59,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:40:59,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2026-02-10T11:40:59,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2026-02-10T11:40:59,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2026-02-10T11:40:59,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2026-02-10T11:40:59,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:59,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2026-02-10T11:40:59,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2026-02-10T11:40:59,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2026-02-10T11:40:59,268 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2026-02-10T11:40:59,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2026-02-10T11:40:59,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:59,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:40:59,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:59,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2026-02-10T11:40:59,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2026-02-10T11:40:59,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2026-02-10T11:40:59,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:59,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:40:59,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2026-02-10T11:40:59,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2026-02-10T11:40:59,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2026-02-10T11:40:59,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2026-02-10T11:40:59,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:59,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:40:59,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2026-02-10T11:40:59,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2026-02-10T11:40:59,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2026-02-10T11:40:59,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2026-02-10T11:40:59,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:59,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2026-02-10T11:40:59,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2026-02-10T11:40:59,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2026-02-10T11:40:59,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:59,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:40:59,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2026-02-10T11:40:59,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2026-02-10T11:40:59,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:59,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:40:59,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2026-02-10T11:40:59,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2026-02-10T11:40:59,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2026-02-10T11:40:59,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2026-02-10T11:40:59,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:59,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2026-02-10T11:40:59,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:59,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:40:59,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2026-02-10T11:40:59,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2026-02-10T11:40:59,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:59,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:40:59,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:40:59,367 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 2026-02-10T11:40:59,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:59,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2026-02-10T11:40:59,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:59,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2026-02-10T11:40:59,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:59,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:40:59,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2026-02-10T11:40:59,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2026-02-10T11:40:59,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:59,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2026-02-10T11:40:59,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2026-02-10T11:40:59,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2026-02-10T11:40:59,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:59,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2026-02-10T11:40:59,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2026-02-10T11:40:59,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2026-02-10T11:40:59,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:59,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2026-02-10T11:40:59,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2026-02-10T11:40:59,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2026-02-10T11:40:59,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:59,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2026-02-10T11:40:59,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:59,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2026-02-10T11:40:59,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2026-02-10T11:40:59,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2026-02-10T11:40:59,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:59,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2026-02-10T11:40:59,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2026-02-10T11:40:59,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2026-02-10T11:40:59,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:40:59,505 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 2026-02-10T11:40:59,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:59,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2026-02-10T11:40:59,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:59,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:40:59,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2026-02-10T11:40:59,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2026-02-10T11:40:59,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:59,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:40:59,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2026-02-10T11:40:59,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2026-02-10T11:40:59,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2026-02-10T11:40:59,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2026-02-10T11:40:59,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:59,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:40:59,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:59,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:40:59,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:59,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:40:59,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:59,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2026-02-10T11:40:59,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:59,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2026-02-10T11:40:59,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2026-02-10T11:40:59,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2026-02-10T11:40:59,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2026-02-10T11:40:59,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2026-02-10T11:40:59,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:59,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2026-02-10T11:40:59,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2026-02-10T11:40:59,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2026-02-10T11:40:59,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2026-02-10T11:40:59,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2026-02-10T11:40:59,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:59,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2026-02-10T11:40:59,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:59,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2026-02-10T11:40:59,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:59,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2026-02-10T11:40:59,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:59,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:40:59,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2026-02-10T11:40:59,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2026-02-10T11:40:59,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:59,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2026-02-10T11:40:59,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2026-02-10T11:40:59,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2026-02-10T11:40:59,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:59,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:40:59,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:59,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2026-02-10T11:40:59,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:59,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2026-02-10T11:40:59,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:59,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:40:59,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:59,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:40:59,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:59,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2026-02-10T11:40:59,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:59,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2026-02-10T11:40:59,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2026-02-10T11:40:59,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2026-02-10T11:40:59,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2026-02-10T11:40:59,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2026-02-10T11:40:59,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:59,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2026-02-10T11:40:59,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2026-02-10T11:40:59,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2026-02-10T11:40:59,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:59,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2026-02-10T11:40:59,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:59,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2026-02-10T11:40:59,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:59,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:40:59,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:59,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2026-02-10T11:40:59,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2026-02-10T11:40:59,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2026-02-10T11:40:59,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2026-02-10T11:40:59,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2026-02-10T11:40:59,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:59,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2026-02-10T11:40:59,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:59,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2026-02-10T11:40:59,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2026-02-10T11:40:59,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2026-02-10T11:40:59,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:59,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2026-02-10T11:40:59,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:59,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2026-02-10T11:40:59,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:59,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2026-02-10T11:40:59,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2026-02-10T11:40:59,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2026-02-10T11:40:59,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:59,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2026-02-10T11:40:59,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:59,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2026-02-10T11:40:59,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:59,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:40:59,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2026-02-10T11:40:59,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2026-02-10T11:40:59,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:59,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2026-02-10T11:40:59,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:59,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2026-02-10T11:40:59,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2026-02-10T11:40:59,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2026-02-10T11:40:59,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2026-02-10T11:40:59,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2026-02-10T11:40:59,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2026-02-10T11:40:59,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2026-02-10T11:40:59,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2026-02-10T11:40:59,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2026-02-10T11:40:59,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2026-02-10T11:40:59,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2026-02-10T11:40:59,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:59,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2026-02-10T11:40:59,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:59,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2026-02-10T11:40:59,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:59,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2026-02-10T11:40:59,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:59,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2026-02-10T11:40:59,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:59,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2026-02-10T11:40:59,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:59,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2026-02-10T11:40:59,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2026-02-10T11:40:59,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2026-02-10T11:40:59,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2026-02-10T11:40:59,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2026-02-10T11:40:59,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2026-02-10T11:40:59,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2026-02-10T11:40:59,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2026-02-10T11:40:59,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2026-02-10T11:40:59,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2026-02-10T11:40:59,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2026-02-10T11:40:59,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2026-02-10T11:40:59,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2026-02-10T11:40:59,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2026-02-10T11:40:59,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2026-02-10T11:40:59,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2026-02-10T11:40:59,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2026-02-10T11:40:59,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:59,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2026-02-10T11:40:59,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:59,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2026-02-10T11:40:59,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2026-02-10T11:40:59,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2026-02-10T11:40:59,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:59,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2026-02-10T11:40:59,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:59,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2026-02-10T11:40:59,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:59,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2026-02-10T11:40:59,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2026-02-10T11:40:59,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2026-02-10T11:40:59,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:59,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2026-02-10T11:40:59,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2026-02-10T11:40:59,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2026-02-10T11:40:59,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:59,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2026-02-10T11:40:59,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2026-02-10T11:40:59,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2026-02-10T11:40:59,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:59,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2026-02-10T11:40:59,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:59,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2026-02-10T11:40:59,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:59,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:40:59,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2026-02-10T11:40:59,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2026-02-10T11:40:59,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2026-02-10T11:40:59,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2026-02-10T11:40:59,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:59,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2026-02-10T11:40:59,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2026-02-10T11:40:59,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2026-02-10T11:40:59,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2026-02-10T11:40:59,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2026-02-10T11:40:59,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:59,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2026-02-10T11:40:59,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:59,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:40:59,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:59,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:40:59,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2026-02-10T11:40:59,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2026-02-10T11:40:59,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2026-02-10T11:40:59,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2026-02-10T11:40:59,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:59,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2026-02-10T11:40:59,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2026-02-10T11:40:59,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2026-02-10T11:40:59,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2026-02-10T11:40:59,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2026-02-10T11:40:59,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2026-02-10T11:40:59,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2026-02-10T11:40:59,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2026-02-10T11:40:59,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2026-02-10T11:40:59,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2026-02-10T11:40:59,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2026-02-10T11:40:59,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2026-02-10T11:40:59,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2026-02-10T11:40:59,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2026-02-10T11:40:59,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2026-02-10T11:40:59,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2026-02-10T11:40:59,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2026-02-10T11:40:59,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2026-02-10T11:40:59,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2026-02-10T11:40:59,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2026-02-10T11:40:59,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2026-02-10T11:40:59,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2026-02-10T11:40:59,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2026-02-10T11:40:59,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2026-02-10T11:40:59,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2026-02-10T11:40:59,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2026-02-10T11:40:59,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2026-02-10T11:40:59,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2026-02-10T11:40:59,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2026-02-10T11:40:59,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2026-02-10T11:40:59,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2026-02-10T11:40:59,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2026-02-10T11:40:59,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2026-02-10T11:40:59,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2026-02-10T11:40:59,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2026-02-10T11:40:59,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2026-02-10T11:40:59,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2026-02-10T11:40:59,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2026-02-10T11:40:59,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2026-02-10T11:40:59,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2026-02-10T11:40:59,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2026-02-10T11:40:59,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2026-02-10T11:40:59,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2026-02-10T11:40:59,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2026-02-10T11:40:59,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2026-02-10T11:40:59,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2026-02-10T11:40:59,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2026-02-10T11:40:59,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2026-02-10T11:40:59,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2026-02-10T11:40:59,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2026-02-10T11:40:59,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2026-02-10T11:40:59,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2026-02-10T11:40:59,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2026-02-10T11:40:59,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2026-02-10T11:40:59,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2026-02-10T11:40:59,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2026-02-10T11:40:59,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2026-02-10T11:40:59,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2026-02-10T11:40:59,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2026-02-10T11:41:00,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2026-02-10T11:41:00,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2026-02-10T11:41:00,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2026-02-10T11:41:00,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2026-02-10T11:41:00,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2026-02-10T11:41:00,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2026-02-10T11:41:00,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2026-02-10T11:41:00,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2026-02-10T11:41:00,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2026-02-10T11:41:00,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2026-02-10T11:41:00,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2026-02-10T11:41:00,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2026-02-10T11:41:00,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2026-02-10T11:41:00,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2026-02-10T11:41:00,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2026-02-10T11:41:00,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2026-02-10T11:41:00,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2026-02-10T11:41:00,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2026-02-10T11:41:00,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2026-02-10T11:41:00,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2026-02-10T11:41:00,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2026-02-10T11:41:00,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2026-02-10T11:41:00,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2026-02-10T11:41:00,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2026-02-10T11:41:00,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2026-02-10T11:41:00,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2026-02-10T11:41:00,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2026-02-10T11:41:00,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2026-02-10T11:41:00,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2026-02-10T11:41:00,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2026-02-10T11:41:00,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2026-02-10T11:41:00,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2026-02-10T11:41:00,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2026-02-10T11:41:00,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2026-02-10T11:41:00,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2026-02-10T11:41:00,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2026-02-10T11:41:00,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:00,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:00,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:00,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:00,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:00,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:00,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:00,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:00,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:00,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:00,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:00,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:00,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:00,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:00,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:00,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:00,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:00,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:00,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:00,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:00,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:00,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:00,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:00,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:00,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:00,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:00,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:00,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:00,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:00,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:00,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:00,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:00,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:00,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:00,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:00,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:00,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:00,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:00,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:00,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:00,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:00,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:00,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:00,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:00,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:00,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:00,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:00,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:00,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:00,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:00,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:00,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:00,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:00,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:00,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:00,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:00,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:00,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:00,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:00,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:00,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:00,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:00,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:00,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:00,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:00,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:00,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:00,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:00,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:00,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:00,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:00,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:00,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:00,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:00,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:00,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:00,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:00,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:00,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:00,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:00,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:00,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:00,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:00,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:00,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:00,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:00,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2026-02-10T11:41:00,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2026-02-10T11:41:00,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2026-02-10T11:41:00,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2026-02-10T11:41:00,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:00,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:00,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:00,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:00,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:00,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:00,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:00,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:00,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:00,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:00,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:00,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:00,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:00,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:00,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:00,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:00,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:41:00,263 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 2026-02-10T11:41:00,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:00,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:00,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:41:00,271 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 2026-02-10T11:41:00,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:41:00,274 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 2026-02-10T11:41:00,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:41:00,277 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 2026-02-10T11:41:00,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:41:00,281 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 2026-02-10T11:41:00,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:00,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:00,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:00,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:00,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2026-02-10T11:41:00,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2026-02-10T11:41:00,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:41:00,294 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 2026-02-10T11:41:00,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:00,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:00,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:41:00,301 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 2026-02-10T11:41:00,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2026-02-10T11:41:00,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2026-02-10T11:41:00,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:41:00,310 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 2026-02-10T11:41:00,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:41:00,313 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 2026-02-10T11:41:00,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:00,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:00,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:41:00,320 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 2026-02-10T11:41:00,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:41:00,324 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 2026-02-10T11:41:00,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:00,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:00,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:41:00,331 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 2026-02-10T11:41:00,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:41:00,334 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 2026-02-10T11:41:00,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:00,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:00,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:00,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:00,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:00,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:00,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2026-02-10T11:41:00,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2026-02-10T11:41:00,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:00,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:00,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:00,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:00,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:41:00,360 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 2026-02-10T11:41:00,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:00,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:00,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:00,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:00,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:00,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:00,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:41:00,374 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 2026-02-10T11:41:00,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:00,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:00,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:00,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:00,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:00,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:00,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:00,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:00,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:41:00,394 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 2026-02-10T11:41:00,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:41:00,397 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 2026-02-10T11:41:00,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:41:00,400 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 2026-02-10T11:41:00,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:00,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:00,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2026-02-10T11:41:00,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2026-02-10T11:41:00,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:00,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:00,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:00,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:00,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2026-02-10T11:41:00,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2026-02-10T11:41:00,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:41:00,420 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 2026-02-10T11:41:00,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2026-02-10T11:41:00,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2026-02-10T11:41:00,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:00,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:00,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:00,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:00,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:00,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:00,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:41:00,438 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 2026-02-10T11:41:00,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:00,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:00,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:00,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:00,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:00,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:00,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:00,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:00,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:41:00,458 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 2026-02-10T11:41:00,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2026-02-10T11:41:00,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2026-02-10T11:41:00,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:00,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:00,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:41:00,469 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 2026-02-10T11:41:00,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:00,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:00,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2026-02-10T11:41:00,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2026-02-10T11:41:00,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:41:00,481 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 2026-02-10T11:41:00,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:41:00,485 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 2026-02-10T11:41:00,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:00,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:00,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:41:00,492 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 2026-02-10T11:41:00,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:41:00,496 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 2026-02-10T11:41:00,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:41:00,499 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 2026-02-10T11:41:00,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:41:00,502 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 2026-02-10T11:41:00,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:00,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:00,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:41:00,509 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 2026-02-10T11:41:00,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:41:00,513 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 2026-02-10T11:41:00,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:00,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:00,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:00,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:00,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:41:00,525 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 2026-02-10T11:41:00,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:00,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:00,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:41:00,532 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 2026-02-10T11:41:00,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:41:00,536 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 2026-02-10T11:41:00,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:41:00,540 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 2026-02-10T11:41:00,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:41:00,544 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 2026-02-10T11:41:00,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:00,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:00,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:41:00,551 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 2026-02-10T11:41:00,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:00,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:00,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:00,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:00,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:41:00,563 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 2026-02-10T11:41:00,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:41:00,567 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 2026-02-10T11:41:00,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:00,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:00,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:00,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:00,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:00,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:00,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:00,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:00,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2026-02-10T11:41:00,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2026-02-10T11:41:00,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:41:00,592 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 2026-02-10T11:41:00,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:41:00,596 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 2026-02-10T11:41:00,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2026-02-10T11:41:00,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2026-02-10T11:41:00,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:41:00,604 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 2026-02-10T11:41:00,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2026-02-10T11:41:00,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2026-02-10T11:41:00,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:00,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:00,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:00,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:00,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:00,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:00,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2026-02-10T11:41:00,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2026-02-10T11:41:00,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:41:00,625 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 2026-02-10T11:41:00,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:00,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:00,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:00,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:00,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:00,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:00,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:00,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:00,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:00,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:00,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:00,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:00,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:00,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:00,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:00,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:00,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:00,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:00,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:00,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:00,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:00,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:00,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:00,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:00,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:00,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:00,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:00,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:00,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:00,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:00,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:00,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:00,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:00,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:00,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:00,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:00,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:00,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:00,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:00,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:00,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:00,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:00,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:00,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:00,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:00,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:00,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:00,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:00,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:00,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:00,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:00,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:00,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:00,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:00,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:00,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:00,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:00,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:00,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:00,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:00,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:00,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:00,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:00,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:00,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:00,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:00,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:00,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:00,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:00,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:00,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:00,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:00,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:00,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:00,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:00,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:00,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:00,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:00,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:00,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:00,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:00,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:00,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2026-02-10T11:41:00,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2026-02-10T11:41:00,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2026-02-10T11:41:00,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2026-02-10T11:41:00,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2026-02-10T11:41:00,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2026-02-10T11:41:00,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2026-02-10T11:41:00,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2026-02-10T11:41:00,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2026-02-10T11:41:00,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2026-02-10T11:41:00,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2026-02-10T11:41:00,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2026-02-10T11:41:00,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2026-02-10T11:41:00,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2026-02-10T11:41:00,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2026-02-10T11:41:00,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2026-02-10T11:41:00,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2026-02-10T11:41:00,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2026-02-10T11:41:00,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2026-02-10T11:41:00,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2026-02-10T11:41:00,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2026-02-10T11:41:00,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2026-02-10T11:41:00,817 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2026-02-10T11:41:00,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2026-02-10T11:41:00,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2026-02-10T11:41:00,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2026-02-10T11:41:00,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2026-02-10T11:41:00,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2026-02-10T11:41:00,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2026-02-10T11:41:00,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2026-02-10T11:41:00,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2026-02-10T11:41:00,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2026-02-10T11:41:00,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2026-02-10T11:41:00,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2026-02-10T11:41:00,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2026-02-10T11:41:00,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2026-02-10T11:41:00,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2026-02-10T11:41:00,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2026-02-10T11:41:00,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2026-02-10T11:41:00,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2026-02-10T11:41:00,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2026-02-10T11:41:00,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2026-02-10T11:41:00,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2026-02-10T11:41:00,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2026-02-10T11:41:00,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2026-02-10T11:41:00,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2026-02-10T11:41:00,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2026-02-10T11:41:00,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2026-02-10T11:41:00,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2026-02-10T11:41:00,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2026-02-10T11:41:00,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2026-02-10T11:41:00,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2026-02-10T11:41:00,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2026-02-10T11:41:00,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2026-02-10T11:41:00,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2026-02-10T11:41:00,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2026-02-10T11:41:00,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2026-02-10T11:41:00,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2026-02-10T11:41:00,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2026-02-10T11:41:00,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2026-02-10T11:41:00,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2026-02-10T11:41:00,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2026-02-10T11:41:00,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2026-02-10T11:41:00,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2026-02-10T11:41:00,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2026-02-10T11:41:00,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2026-02-10T11:41:00,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2026-02-10T11:41:00,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2026-02-10T11:41:00,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2026-02-10T11:41:00,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2026-02-10T11:41:00,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2026-02-10T11:41:00,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2026-02-10T11:41:00,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2026-02-10T11:41:00,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2026-02-10T11:41:00,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2026-02-10T11:41:00,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2026-02-10T11:41:00,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2026-02-10T11:41:00,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2026-02-10T11:41:00,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2026-02-10T11:41:00,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2026-02-10T11:41:00,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2026-02-10T11:41:00,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2026-02-10T11:41:00,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2026-02-10T11:41:00,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2026-02-10T11:41:00,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2026-02-10T11:41:00,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2026-02-10T11:41:00,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2026-02-10T11:41:00,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2026-02-10T11:41:00,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2026-02-10T11:41:00,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2026-02-10T11:41:00,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2026-02-10T11:41:00,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2026-02-10T11:41:00,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2026-02-10T11:41:00,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2026-02-10T11:41:00,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2026-02-10T11:41:00,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2026-02-10T11:41:00,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2026-02-10T11:41:00,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2026-02-10T11:41:00,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2026-02-10T11:41:00,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2026-02-10T11:41:00,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2026-02-10T11:41:00,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2026-02-10T11:41:00,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2026-02-10T11:41:00,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2026-02-10T11:41:00,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2026-02-10T11:41:00,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2026-02-10T11:41:00,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:00,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:00,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2026-02-10T11:41:00,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2026-02-10T11:41:00,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2026-02-10T11:41:00,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2026-02-10T11:41:00,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:00,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:00,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2026-02-10T11:41:00,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2026-02-10T11:41:00,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2026-02-10T11:41:00,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2026-02-10T11:41:00,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2026-02-10T11:41:00,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2026-02-10T11:41:00,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2026-02-10T11:41:00,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2026-02-10T11:41:01,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2026-02-10T11:41:01,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2026-02-10T11:41:01,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2026-02-10T11:41:01,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2026-02-10T11:41:01,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:01,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:01,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2026-02-10T11:41:01,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2026-02-10T11:41:01,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2026-02-10T11:41:01,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2026-02-10T11:41:01,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2026-02-10T11:41:01,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2026-02-10T11:41:01,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2026-02-10T11:41:01,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2026-02-10T11:41:01,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2026-02-10T11:41:01,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2026-02-10T11:41:01,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2026-02-10T11:41:01,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2026-02-10T11:41:01,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2026-02-10T11:41:01,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2026-02-10T11:41:01,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:01,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:01,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2026-02-10T11:41:01,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2026-02-10T11:41:01,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2026-02-10T11:41:01,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2026-02-10T11:41:01,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2026-02-10T11:41:01,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2026-02-10T11:41:01,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2026-02-10T11:41:01,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2026-02-10T11:41:01,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2026-02-10T11:41:01,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2026-02-10T11:41:01,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2026-02-10T11:41:01,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2026-02-10T11:41:01,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2026-02-10T11:41:01,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2026-02-10T11:41:01,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2026-02-10T11:41:01,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2026-02-10T11:41:01,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2026-02-10T11:41:01,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2026-02-10T11:41:01,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2026-02-10T11:41:01,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2026-02-10T11:41:01,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2026-02-10T11:41:01,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2026-02-10T11:41:01,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2026-02-10T11:41:01,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2026-02-10T11:41:01,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2026-02-10T11:41:01,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2026-02-10T11:41:01,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2026-02-10T11:41:01,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2026-02-10T11:41:01,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2026-02-10T11:41:01,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2026-02-10T11:41:01,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2026-02-10T11:41:01,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2026-02-10T11:41:01,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2026-02-10T11:41:01,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2026-02-10T11:41:01,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2026-02-10T11:41:01,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2026-02-10T11:41:01,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2026-02-10T11:41:01,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2026-02-10T11:41:01,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2026-02-10T11:41:01,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2026-02-10T11:41:01,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2026-02-10T11:41:01,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2026-02-10T11:41:01,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2026-02-10T11:41:01,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2026-02-10T11:41:01,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2026-02-10T11:41:01,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2026-02-10T11:41:01,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2026-02-10T11:41:01,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2026-02-10T11:41:01,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2026-02-10T11:41:01,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2026-02-10T11:41:01,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2026-02-10T11:41:01,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2026-02-10T11:41:01,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2026-02-10T11:41:01,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2026-02-10T11:41:01,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2026-02-10T11:41:01,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2026-02-10T11:41:01,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2026-02-10T11:41:01,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2026-02-10T11:41:01,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2026-02-10T11:41:01,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2026-02-10T11:41:01,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2026-02-10T11:41:01,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2026-02-10T11:41:01,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2026-02-10T11:41:01,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2026-02-10T11:41:01,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2026-02-10T11:41:01,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2026-02-10T11:41:01,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2026-02-10T11:41:01,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2026-02-10T11:41:01,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2026-02-10T11:41:01,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2026-02-10T11:41:01,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2026-02-10T11:41:01,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2026-02-10T11:41:01,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2026-02-10T11:41:01,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2026-02-10T11:41:01,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2026-02-10T11:41:01,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2026-02-10T11:41:01,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2026-02-10T11:41:01,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2026-02-10T11:41:01,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2026-02-10T11:41:01,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2026-02-10T11:41:01,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2026-02-10T11:41:01,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2026-02-10T11:41:01,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2026-02-10T11:41:01,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2026-02-10T11:41:01,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2026-02-10T11:41:01,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2026-02-10T11:41:01,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2026-02-10T11:41:01,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2026-02-10T11:41:01,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2026-02-10T11:41:01,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2026-02-10T11:41:01,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2026-02-10T11:41:01,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2026-02-10T11:41:01,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2026-02-10T11:41:01,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2026-02-10T11:41:01,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2026-02-10T11:41:01,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2026-02-10T11:41:01,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2026-02-10T11:41:01,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2026-02-10T11:41:01,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2026-02-10T11:41:01,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2026-02-10T11:41:01,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2026-02-10T11:41:01,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2026-02-10T11:41:01,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2026-02-10T11:41:01,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2026-02-10T11:41:01,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2026-02-10T11:41:01,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2026-02-10T11:41:01,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2026-02-10T11:41:01,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2026-02-10T11:41:01,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2026-02-10T11:41:01,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2026-02-10T11:41:01,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2026-02-10T11:41:01,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2026-02-10T11:41:01,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2026-02-10T11:41:01,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2026-02-10T11:41:01,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2026-02-10T11:41:01,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2026-02-10T11:41:01,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2026-02-10T11:41:01,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2026-02-10T11:41:01,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2026-02-10T11:41:01,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2026-02-10T11:41:01,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2026-02-10T11:41:01,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2026-02-10T11:41:01,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2026-02-10T11:41:01,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2026-02-10T11:41:01,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2026-02-10T11:41:01,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2026-02-10T11:41:01,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2026-02-10T11:41:01,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2026-02-10T11:41:01,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2026-02-10T11:41:01,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2026-02-10T11:41:01,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2026-02-10T11:41:01,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2026-02-10T11:41:01,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2026-02-10T11:41:01,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2026-02-10T11:41:01,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2026-02-10T11:41:01,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2026-02-10T11:41:01,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2026-02-10T11:41:01,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2026-02-10T11:41:01,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2026-02-10T11:41:01,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2026-02-10T11:41:01,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2026-02-10T11:41:01,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2026-02-10T11:41:01,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2026-02-10T11:41:01,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2026-02-10T11:41:01,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2026-02-10T11:41:01,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2026-02-10T11:41:01,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2026-02-10T11:41:01,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2026-02-10T11:41:01,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2026-02-10T11:41:01,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2026-02-10T11:41:01,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2026-02-10T11:41:01,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2026-02-10T11:41:01,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2026-02-10T11:41:01,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2026-02-10T11:41:01,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2026-02-10T11:41:01,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2026-02-10T11:41:01,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2026-02-10T11:41:01,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2026-02-10T11:41:01,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2026-02-10T11:41:01,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2026-02-10T11:41:01,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2026-02-10T11:41:01,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2026-02-10T11:41:01,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2026-02-10T11:41:01,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2026-02-10T11:41:01,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2026-02-10T11:41:01,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2026-02-10T11:41:01,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2026-02-10T11:41:01,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2026-02-10T11:41:01,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2026-02-10T11:41:01,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2026-02-10T11:41:01,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2026-02-10T11:41:01,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2026-02-10T11:41:01,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2026-02-10T11:41:01,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2026-02-10T11:41:01,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2026-02-10T11:41:01,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2026-02-10T11:41:01,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2026-02-10T11:41:01,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2026-02-10T11:41:01,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2026-02-10T11:41:01,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2026-02-10T11:41:01,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2026-02-10T11:41:01,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2026-02-10T11:41:01,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2026-02-10T11:41:01,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2026-02-10T11:41:01,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2026-02-10T11:41:01,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2026-02-10T11:41:01,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2026-02-10T11:41:01,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2026-02-10T11:41:01,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2026-02-10T11:41:01,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2026-02-10T11:41:01,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2026-02-10T11:41:01,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2026-02-10T11:41:01,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2026-02-10T11:41:01,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2026-02-10T11:41:01,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2026-02-10T11:41:01,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2026-02-10T11:41:01,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2026-02-10T11:41:01,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2026-02-10T11:41:01,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2026-02-10T11:41:01,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2026-02-10T11:41:01,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2026-02-10T11:41:01,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2026-02-10T11:41:01,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2026-02-10T11:41:01,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2026-02-10T11:41:01,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2026-02-10T11:41:01,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2026-02-10T11:41:01,462 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2026-02-10T11:41:01,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2026-02-10T11:41:01,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2026-02-10T11:41:01,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2026-02-10T11:41:01,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2026-02-10T11:41:01,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2026-02-10T11:41:01,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2026-02-10T11:41:01,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2026-02-10T11:41:01,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2026-02-10T11:41:01,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2026-02-10T11:41:01,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2026-02-10T11:41:01,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2026-02-10T11:41:01,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2026-02-10T11:41:01,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2026-02-10T11:41:01,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2026-02-10T11:41:01,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2026-02-10T11:41:01,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2026-02-10T11:41:01,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2026-02-10T11:41:01,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2026-02-10T11:41:01,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2026-02-10T11:41:01,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2026-02-10T11:41:01,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2026-02-10T11:41:01,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2026-02-10T11:41:01,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2026-02-10T11:41:01,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2026-02-10T11:41:01,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2026-02-10T11:41:01,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2026-02-10T11:41:01,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2026-02-10T11:41:01,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2026-02-10T11:41:01,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2026-02-10T11:41:01,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2026-02-10T11:41:01,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2026-02-10T11:41:01,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2026-02-10T11:41:01,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2026-02-10T11:41:01,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2026-02-10T11:41:01,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2026-02-10T11:41:01,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2026-02-10T11:41:01,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2026-02-10T11:41:01,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2026-02-10T11:41:01,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2026-02-10T11:41:01,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2026-02-10T11:41:01,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2026-02-10T11:41:01,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2026-02-10T11:41:01,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2026-02-10T11:41:01,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2026-02-10T11:41:01,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2026-02-10T11:41:01,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2026-02-10T11:41:01,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2026-02-10T11:41:01,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2026-02-10T11:41:01,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2026-02-10T11:41:01,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2026-02-10T11:41:01,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2026-02-10T11:41:01,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2026-02-10T11:41:01,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2026-02-10T11:41:01,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2026-02-10T11:41:01,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2026-02-10T11:41:01,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2026-02-10T11:41:01,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2026-02-10T11:41:01,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2026-02-10T11:41:01,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2026-02-10T11:41:01,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2026-02-10T11:41:01,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2026-02-10T11:41:01,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2026-02-10T11:41:01,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2026-02-10T11:41:01,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2026-02-10T11:41:01,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2026-02-10T11:41:01,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2026-02-10T11:41:01,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2026-02-10T11:41:01,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2026-02-10T11:41:01,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2026-02-10T11:41:01,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2026-02-10T11:41:01,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2026-02-10T11:41:01,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2026-02-10T11:41:01,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2026-02-10T11:41:01,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2026-02-10T11:41:01,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2026-02-10T11:41:01,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2026-02-10T11:41:01,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2026-02-10T11:41:01,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2026-02-10T11:41:01,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2026-02-10T11:41:01,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2026-02-10T11:41:01,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2026-02-10T11:41:01,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2026-02-10T11:41:01,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2026-02-10T11:41:01,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2026-02-10T11:41:01,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2026-02-10T11:41:01,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2026-02-10T11:41:01,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2026-02-10T11:41:01,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2026-02-10T11:41:01,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2026-02-10T11:41:01,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2026-02-10T11:41:01,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2026-02-10T11:41:01,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2026-02-10T11:41:01,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2026-02-10T11:41:01,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2026-02-10T11:41:01,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2026-02-10T11:41:01,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2026-02-10T11:41:01,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2026-02-10T11:41:01,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2026-02-10T11:41:01,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2026-02-10T11:41:01,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2026-02-10T11:41:01,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2026-02-10T11:41:01,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2026-02-10T11:41:01,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2026-02-10T11:41:01,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2026-02-10T11:41:01,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2026-02-10T11:41:01,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2026-02-10T11:41:01,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2026-02-10T11:41:01,663 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2026-02-10T11:41:01,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2026-02-10T11:41:01,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2026-02-10T11:41:01,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2026-02-10T11:41:01,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2026-02-10T11:41:01,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2026-02-10T11:41:01,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2026-02-10T11:41:01,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2026-02-10T11:41:01,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2026-02-10T11:41:01,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2026-02-10T11:41:01,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2026-02-10T11:41:01,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2026-02-10T11:41:01,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2026-02-10T11:41:01,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2026-02-10T11:41:01,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2026-02-10T11:41:01,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2026-02-10T11:41:01,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2026-02-10T11:41:01,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2026-02-10T11:41:01,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2026-02-10T11:41:01,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2026-02-10T11:41:01,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2026-02-10T11:41:01,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2026-02-10T11:41:01,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2026-02-10T11:41:01,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2026-02-10T11:41:01,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2026-02-10T11:41:01,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2026-02-10T11:41:01,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2026-02-10T11:41:01,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2026-02-10T11:41:01,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2026-02-10T11:41:01,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2026-02-10T11:41:01,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2026-02-10T11:41:01,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2026-02-10T11:41:01,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2026-02-10T11:41:01,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2026-02-10T11:41:01,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2026-02-10T11:41:01,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2026-02-10T11:41:01,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2026-02-10T11:41:01,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2026-02-10T11:41:01,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2026-02-10T11:41:01,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2026-02-10T11:41:01,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2026-02-10T11:41:01,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2026-02-10T11:41:01,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2026-02-10T11:41:01,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2026-02-10T11:41:01,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2026-02-10T11:41:01,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2026-02-10T11:41:01,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2026-02-10T11:41:01,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2026-02-10T11:41:01,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2026-02-10T11:41:01,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2026-02-10T11:41:01,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2026-02-10T11:41:01,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2026-02-10T11:41:01,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2026-02-10T11:41:01,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2026-02-10T11:41:01,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2026-02-10T11:41:01,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2026-02-10T11:41:01,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2026-02-10T11:41:01,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2026-02-10T11:41:01,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2026-02-10T11:41:01,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2026-02-10T11:41:01,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2026-02-10T11:41:01,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2026-02-10T11:41:01,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2026-02-10T11:41:01,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2026-02-10T11:41:01,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2026-02-10T11:41:01,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2026-02-10T11:41:01,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2026-02-10T11:41:01,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2026-02-10T11:41:01,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2026-02-10T11:41:01,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2026-02-10T11:41:01,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2026-02-10T11:41:01,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2026-02-10T11:41:01,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2026-02-10T11:41:01,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2026-02-10T11:41:01,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2026-02-10T11:41:01,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2026-02-10T11:41:01,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2026-02-10T11:41:01,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2026-02-10T11:41:01,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2026-02-10T11:41:01,818 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2026-02-10T11:41:01,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2026-02-10T11:41:01,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2026-02-10T11:41:01,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2026-02-10T11:41:01,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2026-02-10T11:41:01,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2026-02-10T11:41:01,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2026-02-10T11:41:01,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2026-02-10T11:41:01,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2026-02-10T11:41:01,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2026-02-10T11:41:01,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2026-02-10T11:41:01,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2026-02-10T11:41:01,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2026-02-10T11:41:01,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2026-02-10T11:41:01,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2026-02-10T11:41:01,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2026-02-10T11:41:01,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2026-02-10T11:41:01,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2026-02-10T11:41:01,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2026-02-10T11:41:01,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2026-02-10T11:41:01,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2026-02-10T11:41:01,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2026-02-10T11:41:01,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2026-02-10T11:41:01,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2026-02-10T11:41:01,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2026-02-10T11:41:01,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2026-02-10T11:41:01,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2026-02-10T11:41:01,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2026-02-10T11:41:01,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2026-02-10T11:41:01,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:41:01,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:41:01,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2026-02-10T11:41:01,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2026-02-10T11:41:01,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2026-02-10T11:41:01,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2026-02-10T11:41:01,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2026-02-10T11:41:01,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2026-02-10T11:41:01,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:41:01,905 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 2026-02-10T11:41:01,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2026-02-10T11:41:01,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2026-02-10T11:41:01,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:41:01,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:41:01,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:41:01,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:41:01,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2026-02-10T11:41:01,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2026-02-10T11:41:01,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2026-02-10T11:41:01,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2026-02-10T11:41:01,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:41:01,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:41:01,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:41:01,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:41:01,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:41:01,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:41:01,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:41:01,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:41:01,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2026-02-10T11:41:01,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2026-02-10T11:41:01,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2026-02-10T11:41:01,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2026-02-10T11:41:01,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2026-02-10T11:41:01,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2026-02-10T11:41:01,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2026-02-10T11:41:01,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2026-02-10T11:41:01,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2026-02-10T11:41:01,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2026-02-10T11:41:01,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:41:01,964 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 2026-02-10T11:41:01,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2026-02-10T11:41:01,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2026-02-10T11:41:01,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:41:01,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:41:01,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:41:01,975 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 2026-02-10T11:41:01,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:41:01,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:41:01,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2026-02-10T11:41:01,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2026-02-10T11:41:01,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:41:01,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:41:01,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:41:01,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:41:01,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:41:01,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:41:01,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2026-02-10T11:41:02,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2026-02-10T11:41:02,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:41:02,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:41:02,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:41:02,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:41:02,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:41:02,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:41:02,016 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2026-02-10T11:41:02,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2026-02-10T11:41:02,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:41:02,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:41:02,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2026-02-10T11:41:02,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2026-02-10T11:41:02,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:41:02,027 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 2026-02-10T11:41:02,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2026-02-10T11:41:02,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2026-02-10T11:41:02,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:41:02,035 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 2026-02-10T11:41:02,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:41:02,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:41:02,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2026-02-10T11:41:02,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2026-02-10T11:41:02,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:41:02,046 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 2026-02-10T11:41:02,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2026-02-10T11:41:02,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2026-02-10T11:41:02,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:41:02,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:41:02,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:41:02,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:41:02,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:41:02,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:41:02,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:41:02,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:41:02,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:41:02,070 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 2026-02-10T11:41:02,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2026-02-10T11:41:02,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2026-02-10T11:41:02,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:41:02,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:41:02,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2026-02-10T11:41:02,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2026-02-10T11:41:02,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2026-02-10T11:41:02,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2026-02-10T11:41:02,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2026-02-10T11:41:02,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2026-02-10T11:41:02,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:41:02,091 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 2026-02-10T11:41:02,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2026-02-10T11:41:02,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2026-02-10T11:41:02,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2026-02-10T11:41:02,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2026-02-10T11:41:02,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2026-02-10T11:41:02,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2026-02-10T11:41:02,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:41:02,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:41:02,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2026-02-10T11:41:02,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2026-02-10T11:41:02,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:41:02,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:41:02,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:41:02,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:41:02,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2026-02-10T11:41:02,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2026-02-10T11:41:02,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:41:02,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:41:02,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:41:02,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:41:02,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:41:02,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:41:02,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:41:02,138 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 2026-02-10T11:41:02,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2026-02-10T11:41:02,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2026-02-10T11:41:02,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:41:02,146 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 2026-02-10T11:41:02,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2026-02-10T11:41:02,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2026-02-10T11:41:02,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2026-02-10T11:41:02,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2026-02-10T11:41:02,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2026-02-10T11:41:02,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2026-02-10T11:41:02,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:41:02,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:41:02,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:02,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:02,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2026-02-10T11:41:02,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2026-02-10T11:41:02,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2026-02-10T11:41:02,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2026-02-10T11:41:02,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2026-02-10T11:41:02,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2026-02-10T11:41:02,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2026-02-10T11:41:02,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2026-02-10T11:41:02,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2026-02-10T11:41:02,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2026-02-10T11:41:02,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:41:02,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:41:02,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:41:02,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:41:02,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:41:02,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:41:02,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:41:02,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:41:02,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2026-02-10T11:41:02,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2026-02-10T11:41:02,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:41:02,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:41:02,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2026-02-10T11:41:02,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2026-02-10T11:41:02,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:41:02,215 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 2026-02-10T11:41:02,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:02,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:02,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:02,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:02,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2026-02-10T11:41:02,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2026-02-10T11:41:02,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:02,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:02,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:02,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:02,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:02,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:02,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:02,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:02,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:02,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:02,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2026-02-10T11:41:02,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2026-02-10T11:41:02,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:02,258 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:02,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:02,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:02,264 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:02,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:02,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:02,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:02,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:02,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:02,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:02,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:02,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2026-02-10T11:41:02,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2026-02-10T11:41:02,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:02,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:02,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:02,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:02,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:02,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:02,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:02,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:02,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:02,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:02,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:02,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:02,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:02,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:02,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:02,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:02,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:02,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:02,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2026-02-10T11:41:02,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2026-02-10T11:41:02,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:02,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:02,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2026-02-10T11:41:02,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2026-02-10T11:41:02,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:02,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:02,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:02,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:02,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:02,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:02,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:02,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:02,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2026-02-10T11:41:02,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2026-02-10T11:41:02,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:02,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:02,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:02,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:02,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:02,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:02,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:02,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:02,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:02,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:02,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2026-02-10T11:41:02,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2026-02-10T11:41:02,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:02,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:02,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:02,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:02,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:02,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:02,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:02,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:02,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:02,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:02,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:02,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:02,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2026-02-10T11:41:02,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2026-02-10T11:41:02,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:02,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:02,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:02,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:02,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:02,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:02,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:02,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:02,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:02,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:02,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2026-02-10T11:41:02,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2026-02-10T11:41:02,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:02,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:02,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:02,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:02,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:02,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:02,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:02,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:02,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:02,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:02,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:02,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:02,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2026-02-10T11:41:02,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2026-02-10T11:41:02,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:02,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:02,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:02,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:02,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:02,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:02,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:02,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:02,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:02,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:02,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:02,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:02,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2026-02-10T11:41:02,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2026-02-10T11:41:02,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:02,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:02,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:02,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:02,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:02,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:02,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:02,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:02,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2026-02-10T11:41:02,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2026-02-10T11:41:02,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:02,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:02,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2026-02-10T11:41:02,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2026-02-10T11:41:02,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2026-02-10T11:41:02,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2026-02-10T11:41:02,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:02,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:02,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:02,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:02,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:02,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:02,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:02,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:02,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:02,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:02,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:02,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:02,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:02,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:02,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:02,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:02,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:02,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:02,546 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2026-02-10T11:41:02,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2026-02-10T11:41:02,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:02,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:02,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:02,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:02,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2026-02-10T11:41:02,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2026-02-10T11:41:02,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2026-02-10T11:41:02,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2026-02-10T11:41:02,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2026-02-10T11:41:02,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2026-02-10T11:41:02,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2026-02-10T11:41:02,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2026-02-10T11:41:02,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2026-02-10T11:41:02,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2026-02-10T11:41:02,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2026-02-10T11:41:02,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2026-02-10T11:41:02,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2026-02-10T11:41:02,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2026-02-10T11:41:02,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2026-02-10T11:41:02,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2026-02-10T11:41:02,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2026-02-10T11:41:02,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2026-02-10T11:41:02,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2026-02-10T11:41:02,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2026-02-10T11:41:02,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2026-02-10T11:41:02,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2026-02-10T11:41:02,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2026-02-10T11:41:02,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2026-02-10T11:41:02,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2026-02-10T11:41:02,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2026-02-10T11:41:02,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2026-02-10T11:41:02,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2026-02-10T11:41:02,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2026-02-10T11:41:02,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2026-02-10T11:41:02,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2026-02-10T11:41:02,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2026-02-10T11:41:02,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2026-02-10T11:41:02,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2026-02-10T11:41:02,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2026-02-10T11:41:02,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2026-02-10T11:41:02,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2026-02-10T11:41:02,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2026-02-10T11:41:02,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2026-02-10T11:41:02,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2026-02-10T11:41:02,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2026-02-10T11:41:02,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2026-02-10T11:41:02,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2026-02-10T11:41:02,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2026-02-10T11:41:02,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2026-02-10T11:41:02,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2026-02-10T11:41:02,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2026-02-10T11:41:02,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2026-02-10T11:41:02,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2026-02-10T11:41:02,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2026-02-10T11:41:02,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2026-02-10T11:41:02,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2026-02-10T11:41:02,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2026-02-10T11:41:02,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2026-02-10T11:41:02,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2026-02-10T11:41:02,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2026-02-10T11:41:02,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2026-02-10T11:41:02,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2026-02-10T11:41:02,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2026-02-10T11:41:02,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2026-02-10T11:41:02,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2026-02-10T11:41:02,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2026-02-10T11:41:02,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2026-02-10T11:41:02,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2026-02-10T11:41:02,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2026-02-10T11:41:02,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2026-02-10T11:41:02,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2026-02-10T11:41:02,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2026-02-10T11:41:02,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2026-02-10T11:41:02,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2026-02-10T11:41:02,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2026-02-10T11:41:02,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2026-02-10T11:41:02,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2026-02-10T11:41:02,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2026-02-10T11:41:02,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2026-02-10T11:41:02,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2026-02-10T11:41:02,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2026-02-10T11:41:02,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2026-02-10T11:41:02,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2026-02-10T11:41:02,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2026-02-10T11:41:02,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2026-02-10T11:41:02,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2026-02-10T11:41:02,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2026-02-10T11:41:02,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2026-02-10T11:41:02,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2026-02-10T11:41:02,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2026-02-10T11:41:02,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2026-02-10T11:41:02,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2026-02-10T11:41:02,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2026-02-10T11:41:02,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2026-02-10T11:41:02,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2026-02-10T11:41:02,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2026-02-10T11:41:02,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2026-02-10T11:41:02,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2026-02-10T11:41:02,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2026-02-10T11:41:02,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2026-02-10T11:41:02,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2026-02-10T11:41:02,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2026-02-10T11:41:02,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2026-02-10T11:41:02,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2026-02-10T11:41:02,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2026-02-10T11:41:02,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2026-02-10T11:41:02,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2026-02-10T11:41:02,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2026-02-10T11:41:02,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2026-02-10T11:41:02,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2026-02-10T11:41:02,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2026-02-10T11:41:02,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2026-02-10T11:41:02,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2026-02-10T11:41:02,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2026-02-10T11:41:02,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2026-02-10T11:41:02,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2026-02-10T11:41:02,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2026-02-10T11:41:02,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2026-02-10T11:41:02,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2026-02-10T11:41:02,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2026-02-10T11:41:02,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2026-02-10T11:41:02,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2026-02-10T11:41:02,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2026-02-10T11:41:02,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2026-02-10T11:41:02,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2026-02-10T11:41:02,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2026-02-10T11:41:02,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2026-02-10T11:41:02,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2026-02-10T11:41:02,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2026-02-10T11:41:02,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2026-02-10T11:41:02,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2026-02-10T11:41:02,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2026-02-10T11:41:02,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2026-02-10T11:41:02,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2026-02-10T11:41:02,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2026-02-10T11:41:02,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2026-02-10T11:41:02,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2026-02-10T11:41:02,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2026-02-10T11:41:02,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2026-02-10T11:41:02,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2026-02-10T11:41:02,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2026-02-10T11:41:02,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2026-02-10T11:41:02,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2026-02-10T11:41:02,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2026-02-10T11:41:02,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2026-02-10T11:41:02,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2026-02-10T11:41:02,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:02,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:02,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:02,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:02,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2026-02-10T11:41:02,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2026-02-10T11:41:02,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2026-02-10T11:41:02,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2026-02-10T11:41:02,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2026-02-10T11:41:02,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2026-02-10T11:41:02,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:02,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:02,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:02,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:02,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2026-02-10T11:41:02,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2026-02-10T11:41:02,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2026-02-10T11:41:02,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2026-02-10T11:41:02,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2026-02-10T11:41:02,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2026-02-10T11:41:02,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2026-02-10T11:41:02,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2026-02-10T11:41:02,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:02,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:02,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2026-02-10T11:41:02,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2026-02-10T11:41:02,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:02,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:02,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2026-02-10T11:41:02,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2026-02-10T11:41:02,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:02,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:02,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2026-02-10T11:41:02,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2026-02-10T11:41:02,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2026-02-10T11:41:02,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2026-02-10T11:41:02,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:02,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:02,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2026-02-10T11:41:02,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2026-02-10T11:41:02,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:02,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:02,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:02,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:02,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:02,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:02,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2026-02-10T11:41:02,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2026-02-10T11:41:02,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2026-02-10T11:41:02,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2026-02-10T11:41:02,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2026-02-10T11:41:02,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2026-02-10T11:41:02,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2026-02-10T11:41:02,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2026-02-10T11:41:02,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:02,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:02,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2026-02-10T11:41:02,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2026-02-10T11:41:02,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2026-02-10T11:41:02,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2026-02-10T11:41:02,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2026-02-10T11:41:02,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2026-02-10T11:41:02,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2026-02-10T11:41:02,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2026-02-10T11:41:02,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2026-02-10T11:41:02,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2026-02-10T11:41:02,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2026-02-10T11:41:02,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2026-02-10T11:41:02,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2026-02-10T11:41:02,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2026-02-10T11:41:02,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2026-02-10T11:41:02,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2026-02-10T11:41:02,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2026-02-10T11:41:02,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2026-02-10T11:41:02,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2026-02-10T11:41:02,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2026-02-10T11:41:02,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2026-02-10T11:41:02,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2026-02-10T11:41:02,941 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2026-02-10T11:41:02,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2026-02-10T11:41:02,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2026-02-10T11:41:02,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2026-02-10T11:41:02,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2026-02-10T11:41:02,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2026-02-10T11:41:02,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2026-02-10T11:41:02,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2026-02-10T11:41:02,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2026-02-10T11:41:02,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2026-02-10T11:41:02,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2026-02-10T11:41:02,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2026-02-10T11:41:02,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2026-02-10T11:41:02,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2026-02-10T11:41:02,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2026-02-10T11:41:02,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2026-02-10T11:41:02,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2026-02-10T11:41:02,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2026-02-10T11:41:02,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2026-02-10T11:41:02,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2026-02-10T11:41:02,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2026-02-10T11:41:02,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2026-02-10T11:41:02,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2026-02-10T11:41:02,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2026-02-10T11:41:02,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2026-02-10T11:41:02,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2026-02-10T11:41:02,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2026-02-10T11:41:02,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2026-02-10T11:41:02,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2026-02-10T11:41:02,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2026-02-10T11:41:02,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2026-02-10T11:41:02,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2026-02-10T11:41:03,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2026-02-10T11:41:03,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2026-02-10T11:41:03,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2026-02-10T11:41:03,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2026-02-10T11:41:03,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2026-02-10T11:41:03,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2026-02-10T11:41:03,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2026-02-10T11:41:03,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2026-02-10T11:41:03,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2026-02-10T11:41:03,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2026-02-10T11:41:03,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2026-02-10T11:41:03,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2026-02-10T11:41:03,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2026-02-10T11:41:03,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2026-02-10T11:41:03,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2026-02-10T11:41:03,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2026-02-10T11:41:03,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2026-02-10T11:41:03,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2026-02-10T11:41:03,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2026-02-10T11:41:03,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2026-02-10T11:41:03,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:03,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:03,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:03,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:03,051 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:03,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:03,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:03,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:03,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:03,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:03,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:03,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:03,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:03,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:03,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:03,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:03,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:03,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:03,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:03,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:03,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:03,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:03,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:03,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:03,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:03,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:03,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:03,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:03,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:03,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:03,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:03,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:03,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:03,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:03,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:03,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:03,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:03,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:03,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:03,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:03,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:03,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:03,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:03,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:03,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:03,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:03,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:03,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:03,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:03,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:03,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:03,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:03,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:03,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:03,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:03,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:03,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:03,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:03,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2026-02-10T11:41:03,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2026-02-10T11:41:03,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2026-02-10T11:41:03,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2026-02-10T11:41:03,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2026-02-10T11:41:03,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2026-02-10T11:41:03,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2026-02-10T11:41:03,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2026-02-10T11:41:03,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2026-02-10T11:41:03,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2026-02-10T11:41:03,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2026-02-10T11:41:03,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2026-02-10T11:41:03,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2026-02-10T11:41:03,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2026-02-10T11:41:03,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2026-02-10T11:41:03,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2026-02-10T11:41:03,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2026-02-10T11:41:03,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2026-02-10T11:41:03,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:03,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:03,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2026-02-10T11:41:03,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2026-02-10T11:41:03,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2026-02-10T11:41:03,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2026-02-10T11:41:03,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2026-02-10T11:41:03,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2026-02-10T11:41:03,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2026-02-10T11:41:03,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2026-02-10T11:41:03,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2026-02-10T11:41:03,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2026-02-10T11:41:03,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2026-02-10T11:41:03,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2026-02-10T11:41:03,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2026-02-10T11:41:03,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2026-02-10T11:41:03,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2026-02-10T11:41:03,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2026-02-10T11:41:03,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2026-02-10T11:41:03,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2026-02-10T11:41:03,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2026-02-10T11:41:03,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2026-02-10T11:41:03,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2026-02-10T11:41:03,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2026-02-10T11:41:03,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:03,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:03,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2026-02-10T11:41:03,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2026-02-10T11:41:03,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2026-02-10T11:41:03,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2026-02-10T11:41:03,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2026-02-10T11:41:03,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2026-02-10T11:41:03,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2026-02-10T11:41:03,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2026-02-10T11:41:03,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2026-02-10T11:41:03,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2026-02-10T11:41:03,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2026-02-10T11:41:03,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2026-02-10T11:41:03,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2026-02-10T11:41:03,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2026-02-10T11:41:03,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2026-02-10T11:41:03,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2026-02-10T11:41:03,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2026-02-10T11:41:03,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2026-02-10T11:41:03,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2026-02-10T11:41:03,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2026-02-10T11:41:03,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2026-02-10T11:41:03,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2026-02-10T11:41:03,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2026-02-10T11:41:03,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2026-02-10T11:41:03,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2026-02-10T11:41:03,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2026-02-10T11:41:03,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2026-02-10T11:41:03,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2026-02-10T11:41:03,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2026-02-10T11:41:03,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2026-02-10T11:41:03,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2026-02-10T11:41:03,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2026-02-10T11:41:03,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2026-02-10T11:41:03,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2026-02-10T11:41:03,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2026-02-10T11:41:03,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2026-02-10T11:41:03,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2026-02-10T11:41:03,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2026-02-10T11:41:03,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2026-02-10T11:41:03,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2026-02-10T11:41:03,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2026-02-10T11:41:03,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2026-02-10T11:41:03,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2026-02-10T11:41:03,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2026-02-10T11:41:03,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2026-02-10T11:41:03,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2026-02-10T11:41:03,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2026-02-10T11:41:03,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2026-02-10T11:41:03,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2026-02-10T11:41:03,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2026-02-10T11:41:03,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2026-02-10T11:41:03,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2026-02-10T11:41:03,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2026-02-10T11:41:03,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2026-02-10T11:41:03,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2026-02-10T11:41:03,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2026-02-10T11:41:03,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2026-02-10T11:41:03,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2026-02-10T11:41:03,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2026-02-10T11:41:03,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2026-02-10T11:41:03,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2026-02-10T11:41:03,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2026-02-10T11:41:03,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2026-02-10T11:41:03,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2026-02-10T11:41:03,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2026-02-10T11:41:03,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2026-02-10T11:41:03,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2026-02-10T11:41:03,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2026-02-10T11:41:03,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2026-02-10T11:41:03,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2026-02-10T11:41:03,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2026-02-10T11:41:03,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2026-02-10T11:41:03,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2026-02-10T11:41:03,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2026-02-10T11:41:03,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2026-02-10T11:41:03,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2026-02-10T11:41:03,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2026-02-10T11:41:03,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2026-02-10T11:41:03,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2026-02-10T11:41:03,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2026-02-10T11:41:03,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2026-02-10T11:41:03,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2026-02-10T11:41:03,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2026-02-10T11:41:03,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2026-02-10T11:41:03,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2026-02-10T11:41:03,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2026-02-10T11:41:03,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2026-02-10T11:41:03,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2026-02-10T11:41:03,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2026-02-10T11:41:03,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2026-02-10T11:41:03,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2026-02-10T11:41:03,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2026-02-10T11:41:03,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2026-02-10T11:41:03,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2026-02-10T11:41:03,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2026-02-10T11:41:03,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2026-02-10T11:41:03,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2026-02-10T11:41:03,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2026-02-10T11:41:03,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2026-02-10T11:41:03,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2026-02-10T11:41:03,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2026-02-10T11:41:03,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2026-02-10T11:41:03,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2026-02-10T11:41:03,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2026-02-10T11:41:03,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2026-02-10T11:41:03,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2026-02-10T11:41:03,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2026-02-10T11:41:03,418 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2026-02-10T11:41:03,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2026-02-10T11:41:03,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2026-02-10T11:41:03,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2026-02-10T11:41:03,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2026-02-10T11:41:03,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2026-02-10T11:41:03,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2026-02-10T11:41:03,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2026-02-10T11:41:03,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2026-02-10T11:41:03,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2026-02-10T11:41:03,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2026-02-10T11:41:03,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2026-02-10T11:41:03,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2026-02-10T11:41:03,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2026-02-10T11:41:03,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2026-02-10T11:41:03,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2026-02-10T11:41:03,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2026-02-10T11:41:03,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2026-02-10T11:41:03,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2026-02-10T11:41:03,451 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2026-02-10T11:41:03,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2026-02-10T11:41:03,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2026-02-10T11:41:03,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2026-02-10T11:41:03,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2026-02-10T11:41:03,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2026-02-10T11:41:03,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2026-02-10T11:41:03,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2026-02-10T11:41:03,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2026-02-10T11:41:03,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2026-02-10T11:41:03,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2026-02-10T11:41:03,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2026-02-10T11:41:03,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2026-02-10T11:41:03,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2026-02-10T11:41:03,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2026-02-10T11:41:03,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2026-02-10T11:41:03,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2026-02-10T11:41:03,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2026-02-10T11:41:03,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2026-02-10T11:41:03,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2026-02-10T11:41:03,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2026-02-10T11:41:03,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2026-02-10T11:41:03,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2026-02-10T11:41:03,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2026-02-10T11:41:03,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2026-02-10T11:41:03,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2026-02-10T11:41:03,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2026-02-10T11:41:03,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2026-02-10T11:41:03,499 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2026-02-10T11:41:03,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2026-02-10T11:41:03,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2026-02-10T11:41:03,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2026-02-10T11:41:03,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2026-02-10T11:41:03,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2026-02-10T11:41:03,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2026-02-10T11:41:03,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2026-02-10T11:41:03,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2026-02-10T11:41:03,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2026-02-10T11:41:03,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2026-02-10T11:41:03,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2026-02-10T11:41:03,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2026-02-10T11:41:03,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2026-02-10T11:41:03,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2026-02-10T11:41:03,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2026-02-10T11:41:03,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2026-02-10T11:41:03,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2026-02-10T11:41:03,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2026-02-10T11:41:03,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2026-02-10T11:41:03,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2026-02-10T11:41:03,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2026-02-10T11:41:03,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2026-02-10T11:41:03,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2026-02-10T11:41:03,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2026-02-10T11:41:03,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2026-02-10T11:41:03,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2026-02-10T11:41:03,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2026-02-10T11:41:03,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2026-02-10T11:41:03,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2026-02-10T11:41:03,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2026-02-10T11:41:03,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2026-02-10T11:41:03,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2026-02-10T11:41:03,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2026-02-10T11:41:03,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2026-02-10T11:41:03,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2026-02-10T11:41:03,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2026-02-10T11:41:03,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2026-02-10T11:41:03,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2026-02-10T11:41:03,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2026-02-10T11:41:03,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2026-02-10T11:41:03,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2026-02-10T11:41:03,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2026-02-10T11:41:03,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2026-02-10T11:41:03,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2026-02-10T11:41:03,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2026-02-10T11:41:03,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2026-02-10T11:41:03,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2026-02-10T11:41:03,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2026-02-10T11:41:03,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2026-02-10T11:41:03,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2026-02-10T11:41:03,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2026-02-10T11:41:03,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2026-02-10T11:41:03,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2026-02-10T11:41:03,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2026-02-10T11:41:03,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2026-02-10T11:41:03,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2026-02-10T11:41:03,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2026-02-10T11:41:03,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2026-02-10T11:41:03,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2026-02-10T11:41:03,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2026-02-10T11:41:03,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2026-02-10T11:41:03,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2026-02-10T11:41:03,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2026-02-10T11:41:03,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2026-02-10T11:41:03,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2026-02-10T11:41:03,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2026-02-10T11:41:03,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2026-02-10T11:41:03,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2026-02-10T11:41:03,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2026-02-10T11:41:03,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2026-02-10T11:41:03,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2026-02-10T11:41:03,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2026-02-10T11:41:03,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2026-02-10T11:41:03,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2026-02-10T11:41:03,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2026-02-10T11:41:03,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2026-02-10T11:41:03,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2026-02-10T11:41:03,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2026-02-10T11:41:03,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2026-02-10T11:41:03,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2026-02-10T11:41:03,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2026-02-10T11:41:03,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2026-02-10T11:41:03,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2026-02-10T11:41:03,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2026-02-10T11:41:03,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2026-02-10T11:41:03,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2026-02-10T11:41:03,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2026-02-10T11:41:03,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2026-02-10T11:41:03,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2026-02-10T11:41:03,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2026-02-10T11:41:03,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2026-02-10T11:41:03,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2026-02-10T11:41:03,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2026-02-10T11:41:03,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2026-02-10T11:41:03,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2026-02-10T11:41:03,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2026-02-10T11:41:03,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2026-02-10T11:41:03,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2026-02-10T11:41:03,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2026-02-10T11:41:03,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2026-02-10T11:41:03,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2026-02-10T11:41:03,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2026-02-10T11:41:03,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2026-02-10T11:41:03,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2026-02-10T11:41:03,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2026-02-10T11:41:03,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2026-02-10T11:41:03,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2026-02-10T11:41:03,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2026-02-10T11:41:03,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2026-02-10T11:41:03,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2026-02-10T11:41:03,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2026-02-10T11:41:03,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2026-02-10T11:41:03,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2026-02-10T11:41:03,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2026-02-10T11:41:03,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2026-02-10T11:41:03,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2026-02-10T11:41:03,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2026-02-10T11:41:03,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2026-02-10T11:41:03,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2026-02-10T11:41:03,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2026-02-10T11:41:03,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2026-02-10T11:41:03,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2026-02-10T11:41:03,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2026-02-10T11:41:03,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2026-02-10T11:41:03,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2026-02-10T11:41:03,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2026-02-10T11:41:03,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2026-02-10T11:41:03,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2026-02-10T11:41:03,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2026-02-10T11:41:03,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2026-02-10T11:41:03,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2026-02-10T11:41:03,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2026-02-10T11:41:03,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2026-02-10T11:41:03,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2026-02-10T11:41:03,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2026-02-10T11:41:03,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2026-02-10T11:41:03,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2026-02-10T11:41:03,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2026-02-10T11:41:03,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2026-02-10T11:41:03,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2026-02-10T11:41:03,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2026-02-10T11:41:03,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2026-02-10T11:41:03,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2026-02-10T11:41:03,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2026-02-10T11:41:03,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2026-02-10T11:41:03,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2026-02-10T11:41:03,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2026-02-10T11:41:03,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2026-02-10T11:41:03,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2026-02-10T11:41:03,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2026-02-10T11:41:03,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2026-02-10T11:41:03,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2026-02-10T11:41:03,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2026-02-10T11:41:03,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2026-02-10T11:41:03,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2026-02-10T11:41:03,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2026-02-10T11:41:03,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2026-02-10T11:41:03,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2026-02-10T11:41:03,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2026-02-10T11:41:03,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2026-02-10T11:41:03,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2026-02-10T11:41:03,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2026-02-10T11:41:03,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2026-02-10T11:41:03,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2026-02-10T11:41:03,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2026-02-10T11:41:03,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2026-02-10T11:41:03,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2026-02-10T11:41:03,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2026-02-10T11:41:03,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2026-02-10T11:41:03,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2026-02-10T11:41:03,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2026-02-10T11:41:03,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2026-02-10T11:41:03,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2026-02-10T11:41:03,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2026-02-10T11:41:03,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2026-02-10T11:41:03,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2026-02-10T11:41:03,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2026-02-10T11:41:03,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2026-02-10T11:41:03,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2026-02-10T11:41:03,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2026-02-10T11:41:03,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2026-02-10T11:41:03,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2026-02-10T11:41:03,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2026-02-10T11:41:03,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2026-02-10T11:41:03,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2026-02-10T11:41:03,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2026-02-10T11:41:03,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2026-02-10T11:41:03,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2026-02-10T11:41:03,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2026-02-10T11:41:03,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2026-02-10T11:41:03,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2026-02-10T11:41:03,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2026-02-10T11:41:03,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2026-02-10T11:41:03,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2026-02-10T11:41:03,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2026-02-10T11:41:03,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2026-02-10T11:41:03,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2026-02-10T11:41:03,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2026-02-10T11:41:03,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2026-02-10T11:41:03,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:41:03,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:41:03,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2026-02-10T11:41:03,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2026-02-10T11:41:03,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2026-02-10T11:41:03,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2026-02-10T11:41:03,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2026-02-10T11:41:03,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2026-02-10T11:41:03,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:41:03,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:41:03,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2026-02-10T11:41:03,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2026-02-10T11:41:03,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2026-02-10T11:41:03,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2026-02-10T11:41:03,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2026-02-10T11:41:03,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2026-02-10T11:41:03,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2026-02-10T11:41:03,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2026-02-10T11:41:03,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2026-02-10T11:41:03,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2026-02-10T11:41:03,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2026-02-10T11:41:03,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2026-02-10T11:41:03,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2026-02-10T11:41:03,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2026-02-10T11:41:03,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2026-02-10T11:41:03,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2026-02-10T11:41:03,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2026-02-10T11:41:03,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2026-02-10T11:41:03,933 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2026-02-10T11:41:03,934 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2026-02-10T11:41:03,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2026-02-10T11:41:03,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2026-02-10T11:41:03,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2026-02-10T11:41:03,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2026-02-10T11:41:03,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2026-02-10T11:41:03,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2026-02-10T11:41:03,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2026-02-10T11:41:03,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2026-02-10T11:41:03,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2026-02-10T11:41:03,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2026-02-10T11:41:03,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2026-02-10T11:41:03,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2026-02-10T11:41:03,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2026-02-10T11:41:03,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2026-02-10T11:41:03,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2026-02-10T11:41:03,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2026-02-10T11:41:03,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2026-02-10T11:41:03,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2026-02-10T11:41:03,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2026-02-10T11:41:03,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2026-02-10T11:41:03,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2026-02-10T11:41:03,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2026-02-10T11:41:03,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2026-02-10T11:41:03,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2026-02-10T11:41:03,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2026-02-10T11:41:03,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2026-02-10T11:41:03,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2026-02-10T11:41:03,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2026-02-10T11:41:03,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2026-02-10T11:41:03,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2026-02-10T11:41:03,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2026-02-10T11:41:03,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2026-02-10T11:41:03,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2026-02-10T11:41:03,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2026-02-10T11:41:03,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2026-02-10T11:41:04,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2026-02-10T11:41:04,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2026-02-10T11:41:04,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2026-02-10T11:41:04,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2026-02-10T11:41:04,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2026-02-10T11:41:04,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2026-02-10T11:41:04,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2026-02-10T11:41:04,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2026-02-10T11:41:04,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2026-02-10T11:41:04,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2026-02-10T11:41:04,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2026-02-10T11:41:04,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2026-02-10T11:41:04,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2026-02-10T11:41:04,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2026-02-10T11:41:04,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2026-02-10T11:41:04,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2026-02-10T11:41:04,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2026-02-10T11:41:04,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2026-02-10T11:41:04,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2026-02-10T11:41:04,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2026-02-10T11:41:04,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2026-02-10T11:41:04,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2026-02-10T11:41:04,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2026-02-10T11:41:04,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2026-02-10T11:41:04,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2026-02-10T11:41:04,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2026-02-10T11:41:04,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2026-02-10T11:41:04,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2026-02-10T11:41:04,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2026-02-10T11:41:04,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2026-02-10T11:41:04,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2026-02-10T11:41:04,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2026-02-10T11:41:04,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2026-02-10T11:41:04,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2026-02-10T11:41:04,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2026-02-10T11:41:04,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2026-02-10T11:41:04,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2026-02-10T11:41:04,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2026-02-10T11:41:04,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2026-02-10T11:41:04,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2026-02-10T11:41:04,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2026-02-10T11:41:04,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2026-02-10T11:41:04,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2026-02-10T11:41:04,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2026-02-10T11:41:04,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2026-02-10T11:41:04,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2026-02-10T11:41:04,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2026-02-10T11:41:04,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2026-02-10T11:41:04,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2026-02-10T11:41:04,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2026-02-10T11:41:04,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2026-02-10T11:41:04,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2026-02-10T11:41:04,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2026-02-10T11:41:04,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2026-02-10T11:41:04,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2026-02-10T11:41:04,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2026-02-10T11:41:04,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2026-02-10T11:41:04,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2026-02-10T11:41:04,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2026-02-10T11:41:04,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2026-02-10T11:41:04,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2026-02-10T11:41:04,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2026-02-10T11:41:04,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2026-02-10T11:41:04,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2026-02-10T11:41:04,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2026-02-10T11:41:04,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2026-02-10T11:41:04,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2026-02-10T11:41:04,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2026-02-10T11:41:04,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2026-02-10T11:41:04,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2026-02-10T11:41:04,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2026-02-10T11:41:04,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2026-02-10T11:41:04,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2026-02-10T11:41:04,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:04,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:04,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:04,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:04,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:04,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:04,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:04,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:04,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:04,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:04,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:04,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:04,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:04,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:04,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:04,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:04,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:04,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:04,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:04,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:04,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:04,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:04,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:04,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:04,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:04,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:04,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:04,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:04,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:04,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:04,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:04,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:04,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:04,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:04,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:04,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:04,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:04,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:04,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:04,197 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:04,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:04,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:04,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:04,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:04,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:04,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:04,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:04,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:04,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:04,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:04,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:04,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:04,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:04,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:04,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:04,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:04,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:04,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:04,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:04,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:04,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:04,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:04,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:04,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:04,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:04,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:04,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:04,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:04,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:04,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:04,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:04,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:04,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:04,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:04,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:04,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:04,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:04,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:04,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:04,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:04,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:04,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:04,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:04,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:04,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:04,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:04,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:04,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:04,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:04,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:04,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:04,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:04,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:04,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:04,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:04,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:04,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:04,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:04,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:04,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:04,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:04,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:04,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:04,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:04,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:04,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:04,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:04,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:04,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:04,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:04,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:04,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:04,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:04,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:04,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:04,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:04,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:04,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:04,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:04,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:04,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:04,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:04,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:04,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:04,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:04,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:04,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:04,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:04,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:04,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:04,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2026-02-10T11:41:04,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2026-02-10T11:41:04,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2026-02-10T11:41:04,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2026-02-10T11:41:04,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2026-02-10T11:41:04,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2026-02-10T11:41:04,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2026-02-10T11:41:04,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2026-02-10T11:41:04,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2026-02-10T11:41:04,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2026-02-10T11:41:04,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2026-02-10T11:41:04,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2026-02-10T11:41:04,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2026-02-10T11:41:04,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2026-02-10T11:41:04,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2026-02-10T11:41:04,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2026-02-10T11:41:04,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2026-02-10T11:41:04,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2026-02-10T11:41:04,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2026-02-10T11:41:04,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2026-02-10T11:41:04,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2026-02-10T11:41:04,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2026-02-10T11:41:04,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2026-02-10T11:41:04,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2026-02-10T11:41:04,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2026-02-10T11:41:04,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2026-02-10T11:41:04,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:41:04,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:41:04,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2026-02-10T11:41:04,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2026-02-10T11:41:04,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:41:04,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:41:04,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:41:04,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:41:04,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2026-02-10T11:41:04,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2026-02-10T11:41:04,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2026-02-10T11:41:04,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2026-02-10T11:41:04,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:41:04,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:41:04,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:41:04,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:41:04,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2026-02-10T11:41:04,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2026-02-10T11:41:04,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:41:04,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:41:04,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:41:04,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:41:04,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:41:04,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:41:04,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:41:04,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:41:04,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:41:04,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:41:04,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:41:04,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:41:04,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:41:04,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:41:04,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:41:04,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:41:04,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:41:04,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:41:04,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2026-02-10T11:41:04,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2026-02-10T11:41:04,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:41:04,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:41:04,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:41:04,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:41:04,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:41:04,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:41:04,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:41:04,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:41:04,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:41:04,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:41:04,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:41:04,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:41:04,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:41:04,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:41:04,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:41:04,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:41:04,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2026-02-10T11:41:04,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2026-02-10T11:41:04,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2026-02-10T11:41:04,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2026-02-10T11:41:04,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:41:04,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:41:04,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:41:04,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:41:04,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:41:04,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:41:04,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2026-02-10T11:41:04,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2026-02-10T11:41:04,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:41:04,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:41:04,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:41:04,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:41:04,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:41:04,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:41:04,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:41:04,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:41:04,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:41:04,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:41:04,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2026-02-10T11:41:04,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2026-02-10T11:41:04,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2026-02-10T11:41:04,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2026-02-10T11:41:04,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:04,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:04,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2026-02-10T11:41:04,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2026-02-10T11:41:04,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2026-02-10T11:41:04,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2026-02-10T11:41:04,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2026-02-10T11:41:04,558 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2026-02-10T11:41:04,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2026-02-10T11:41:04,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2026-02-10T11:41:04,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:04,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:04,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:04,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:04,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:04,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:04,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2026-02-10T11:41:04,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2026-02-10T11:41:04,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:04,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:04,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2026-02-10T11:41:04,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2026-02-10T11:41:04,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2026-02-10T11:41:04,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2026-02-10T11:41:04,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2026-02-10T11:41:04,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2026-02-10T11:41:04,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2026-02-10T11:41:04,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2026-02-10T11:41:04,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2026-02-10T11:41:04,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2026-02-10T11:41:04,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2026-02-10T11:41:04,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2026-02-10T11:41:04,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2026-02-10T11:41:04,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2026-02-10T11:41:04,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2026-02-10T11:41:04,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2026-02-10T11:41:04,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:04,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:04,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2026-02-10T11:41:04,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2026-02-10T11:41:04,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:04,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:04,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2026-02-10T11:41:04,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2026-02-10T11:41:04,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2026-02-10T11:41:04,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2026-02-10T11:41:04,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2026-02-10T11:41:04,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2026-02-10T11:41:04,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2026-02-10T11:41:04,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2026-02-10T11:41:04,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2026-02-10T11:41:04,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2026-02-10T11:41:04,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:04,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:04,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:04,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:04,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2026-02-10T11:41:04,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2026-02-10T11:41:04,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:04,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:04,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:04,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:04,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:04,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:04,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:04,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:04,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2026-02-10T11:41:04,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2026-02-10T11:41:04,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2026-02-10T11:41:04,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2026-02-10T11:41:04,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:04,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:04,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2026-02-10T11:41:04,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2026-02-10T11:41:04,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2026-02-10T11:41:04,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2026-02-10T11:41:04,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2026-02-10T11:41:04,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2026-02-10T11:41:04,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2026-02-10T11:41:04,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2026-02-10T11:41:04,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:04,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:04,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:04,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:04,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2026-02-10T11:41:04,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2026-02-10T11:41:04,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2026-02-10T11:41:04,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2026-02-10T11:41:04,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:04,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:04,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2026-02-10T11:41:04,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2026-02-10T11:41:04,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2026-02-10T11:41:04,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2026-02-10T11:41:04,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:04,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:04,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2026-02-10T11:41:04,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2026-02-10T11:41:04,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2026-02-10T11:41:04,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2026-02-10T11:41:04,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2026-02-10T11:41:04,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2026-02-10T11:41:04,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2026-02-10T11:41:04,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2026-02-10T11:41:04,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2026-02-10T11:41:04,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2026-02-10T11:41:04,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:04,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:04,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:04,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:04,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:04,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:04,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2026-02-10T11:41:04,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2026-02-10T11:41:04,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2026-02-10T11:41:04,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2026-02-10T11:41:04,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2026-02-10T11:41:04,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2026-02-10T11:41:04,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2026-02-10T11:41:04,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2026-02-10T11:41:04,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2026-02-10T11:41:04,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2026-02-10T11:41:04,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2026-02-10T11:41:04,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2026-02-10T11:41:04,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2026-02-10T11:41:04,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2026-02-10T11:41:04,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2026-02-10T11:41:04,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2026-02-10T11:41:04,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:04,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:04,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:04,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:04,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:04,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:04,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2026-02-10T11:41:04,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2026-02-10T11:41:04,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2026-02-10T11:41:04,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2026-02-10T11:41:04,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2026-02-10T11:41:04,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2026-02-10T11:41:04,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2026-02-10T11:41:04,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2026-02-10T11:41:04,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2026-02-10T11:41:04,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2026-02-10T11:41:04,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2026-02-10T11:41:04,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2026-02-10T11:41:04,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2026-02-10T11:41:04,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2026-02-10T11:41:04,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2026-02-10T11:41:04,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2026-02-10T11:41:04,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2026-02-10T11:41:04,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2026-02-10T11:41:04,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:41:04,813 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 2026-02-10T11:41:04,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:41:04,817 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 2026-02-10T11:41:04,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:41:04,821 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 2026-02-10T11:41:04,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:41:04,824 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 2026-02-10T11:41:04,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:41:04,827 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 2026-02-10T11:41:04,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:41:04,831 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 2026-02-10T11:41:04,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:41:04,835 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 2026-02-10T11:41:04,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2026-02-10T11:41:04,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2026-02-10T11:41:04,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2026-02-10T11:41:04,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2026-02-10T11:41:04,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:41:04,846 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 2026-02-10T11:41:04,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2026-02-10T11:41:04,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2026-02-10T11:41:04,852 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2026-02-10T11:41:04,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2026-02-10T11:41:04,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:41:04,857 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 2026-02-10T11:41:04,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:41:04,861 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 2026-02-10T11:41:04,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2026-02-10T11:41:04,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2026-02-10T11:41:04,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:41:04,868 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 2026-02-10T11:41:04,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2026-02-10T11:41:04,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2026-02-10T11:41:04,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:41:04,875 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 2026-02-10T11:41:04,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2026-02-10T11:41:04,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2026-02-10T11:41:04,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2026-02-10T11:41:04,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2026-02-10T11:41:04,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:41:04,885 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 2026-02-10T11:41:04,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2026-02-10T11:41:04,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2026-02-10T11:41:04,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:04,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:04,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:04,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:04,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:04,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:04,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:04,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:04,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:04,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:04,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:04,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:04,914 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:04,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:04,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:04,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:04,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:04,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:04,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:04,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:04,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:04,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:04,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:04,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:04,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:04,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:04,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:04,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:04,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:04,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:04,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:04,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:04,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:04,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:04,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:04,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:04,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:04,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:04,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:04,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:04,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:04,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:04,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:04,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:04,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:04,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:04,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:04,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:04,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:04,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:04,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:04,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:04,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:04,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:04,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:04,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:04,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:04,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:05,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:05,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:05,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:05,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:05,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:05,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:05,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:05,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:05,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:05,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:05,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:05,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:05,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:05,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:05,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:05,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:05,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:05,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:05,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:05,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:05,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:05,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:05,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:05,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:05,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:05,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:05,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:05,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:05,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:05,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:05,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:05,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:05,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:05,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:05,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:05,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:05,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:05,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:05,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:05,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:05,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:05,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:05,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:05,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:05,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:05,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:05,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:05,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:05,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:05,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:05,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:05,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:05,095 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:05,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:05,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:05,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:05,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:05,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:05,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:05,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:05,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:05,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:05,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:05,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:05,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:05,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:05,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:05,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:05,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:05,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:05,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:05,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:05,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:05,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:05,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:05,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:05,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:05,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:05,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:05,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:05,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:05,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:05,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:05,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:05,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:05,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:05,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:05,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:05,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:05,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:05,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:05,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:05,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:05,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:05,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:05,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:05,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:05,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:05,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:05,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:05,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:05,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:05,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:05,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:05,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:05,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:05,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:05,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:05,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:05,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:05,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:05,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:05,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:05,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:05,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:05,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:05,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:05,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:05,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:05,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:05,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:05,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:05,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:05,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:05,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:05,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:05,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:05,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:05,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:05,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:05,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:05,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:05,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:05,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:05,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:05,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:05,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:05,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:05,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:05,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:05,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:05,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:05,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:41:05,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:41:05,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2026-02-10T11:41:05,265 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2026-02-10T11:41:05,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:41:05,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:41:05,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:41:05,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:41:05,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:41:05,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:41:05,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:41:05,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:41:05,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:41:05,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:41:05,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:41:05,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:41:05,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2026-02-10T11:41:05,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2026-02-10T11:41:05,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:41:05,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:41:05,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:41:05,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:41:05,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:41:05,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:41:05,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:41:05,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:41:05,305 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:41:05,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:41:05,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:41:05,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:41:05,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2026-02-10T11:41:05,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2026-02-10T11:41:05,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:41:05,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:41:05,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:41:05,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:41:05,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2026-02-10T11:41:05,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2026-02-10T11:41:05,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:41:05,329 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 2026-02-10T11:41:05,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2026-02-10T11:41:05,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2026-02-10T11:41:05,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2026-02-10T11:41:05,336 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2026-02-10T11:41:05,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:41:05,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:41:05,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:41:05,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:41:05,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2026-02-10T11:41:05,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2026-02-10T11:41:05,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2026-02-10T11:41:05,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2026-02-10T11:41:05,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:41:05,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:41:05,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:41:05,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:41:05,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:41:05,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:41:05,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2026-02-10T11:41:05,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2026-02-10T11:41:05,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2026-02-10T11:41:05,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2026-02-10T11:41:05,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:41:05,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:41:05,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:41:05,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:41:05,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:41:05,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:41:05,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:41:05,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:41:05,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2026-02-10T11:41:05,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2026-02-10T11:41:05,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2026-02-10T11:41:05,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2026-02-10T11:41:05,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:41:05,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:41:05,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2026-02-10T11:41:05,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2026-02-10T11:41:05,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2026-02-10T11:41:05,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2026-02-10T11:41:05,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2026-02-10T11:41:05,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2026-02-10T11:41:05,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:41:05,417 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 2026-02-10T11:41:05,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2026-02-10T11:41:05,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2026-02-10T11:41:05,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:41:05,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:41:05,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:41:05,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:41:05,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:41:05,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:41:05,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2026-02-10T11:41:05,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2026-02-10T11:41:05,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:41:05,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:41:05,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2026-02-10T11:41:05,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2026-02-10T11:41:05,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2026-02-10T11:41:05,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2026-02-10T11:41:05,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2026-02-10T11:41:05,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2026-02-10T11:41:05,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2026-02-10T11:41:05,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2026-02-10T11:41:05,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2026-02-10T11:41:05,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2026-02-10T11:41:05,503 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2026-02-10T11:41:05,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2026-02-10T11:41:05,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2026-02-10T11:41:05,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2026-02-10T11:41:05,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2026-02-10T11:41:05,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2026-02-10T11:41:05,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2026-02-10T11:41:05,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2026-02-10T11:41:05,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2026-02-10T11:41:05,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2026-02-10T11:41:05,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2026-02-10T11:41:05,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2026-02-10T11:41:05,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2026-02-10T11:41:05,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2026-02-10T11:41:05,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2026-02-10T11:41:05,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2026-02-10T11:41:05,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2026-02-10T11:41:05,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2026-02-10T11:41:05,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2026-02-10T11:41:05,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2026-02-10T11:41:05,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2026-02-10T11:41:05,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2026-02-10T11:41:05,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2026-02-10T11:41:05,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2026-02-10T11:41:05,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2026-02-10T11:41:05,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2026-02-10T11:41:05,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2026-02-10T11:41:05,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2026-02-10T11:41:05,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2026-02-10T11:41:05,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2026-02-10T11:41:05,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2026-02-10T11:41:05,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2026-02-10T11:41:05,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2026-02-10T11:41:05,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2026-02-10T11:41:05,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2026-02-10T11:41:05,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2026-02-10T11:41:05,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2026-02-10T11:41:05,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2026-02-10T11:41:05,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2026-02-10T11:41:05,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2026-02-10T11:41:05,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2026-02-10T11:41:05,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2026-02-10T11:41:05,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2026-02-10T11:41:05,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2026-02-10T11:41:05,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2026-02-10T11:41:05,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2026-02-10T11:41:05,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2026-02-10T11:41:05,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2026-02-10T11:41:05,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2026-02-10T11:41:05,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2026-02-10T11:41:05,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2026-02-10T11:41:05,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2026-02-10T11:41:05,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2026-02-10T11:41:05,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2026-02-10T11:41:05,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2026-02-10T11:41:05,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2026-02-10T11:41:05,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2026-02-10T11:41:05,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2026-02-10T11:41:05,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2026-02-10T11:41:05,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2026-02-10T11:41:05,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:41:05,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:41:05,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2026-02-10T11:41:05,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2026-02-10T11:41:05,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2026-02-10T11:41:05,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2026-02-10T11:41:05,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2026-02-10T11:41:05,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2026-02-10T11:41:05,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2026-02-10T11:41:05,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2026-02-10T11:41:05,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2026-02-10T11:41:05,664 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2026-02-10T11:41:05,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2026-02-10T11:41:05,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2026-02-10T11:41:05,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2026-02-10T11:41:05,672 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 2026-02-10T11:41:05,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2026-02-10T11:41:05,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2026-02-10T11:41:05,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2026-02-10T11:41:05,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2026-02-10T11:41:05,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2026-02-10T11:41:05,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2026-02-10T11:41:05,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2026-02-10T11:41:05,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2026-02-10T11:41:05,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2026-02-10T11:41:05,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2026-02-10T11:41:05,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2026-02-10T11:41:05,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2026-02-10T11:41:05,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2026-02-10T11:41:05,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2026-02-10T11:41:05,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:41:05,707 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 2026-02-10T11:41:05,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2026-02-10T11:41:05,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2026-02-10T11:41:05,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2026-02-10T11:41:05,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2026-02-10T11:41:05,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2026-02-10T11:41:05,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2026-02-10T11:41:05,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2026-02-10T11:41:05,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2026-02-10T11:41:05,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2026-02-10T11:41:05,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2026-02-10T11:41:05,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2026-02-10T11:41:05,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2026-02-10T11:41:05,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2026-02-10T11:41:05,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2026-02-10T11:41:05,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2026-02-10T11:41:05,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2026-02-10T11:41:05,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2026-02-10T11:41:05,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2026-02-10T11:41:05,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2026-02-10T11:41:05,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2026-02-10T11:41:05,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2026-02-10T11:41:05,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2026-02-10T11:41:05,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:41:05,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:41:05,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2026-02-10T11:41:05,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2026-02-10T11:41:05,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2026-02-10T11:41:05,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2026-02-10T11:41:05,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2026-02-10T11:41:05,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2026-02-10T11:41:05,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2026-02-10T11:41:05,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2026-02-10T11:41:05,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2026-02-10T11:41:05,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2026-02-10T11:41:05,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2026-02-10T11:41:05,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2026-02-10T11:41:05,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2026-02-10T11:41:05,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2026-02-10T11:41:05,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2026-02-10T11:41:05,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2026-02-10T11:41:05,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2026-02-10T11:41:05,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2026-02-10T11:41:05,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2026-02-10T11:41:05,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2026-02-10T11:41:05,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2026-02-10T11:41:05,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2026-02-10T11:41:05,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2026-02-10T11:41:05,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2026-02-10T11:41:05,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2026-02-10T11:41:05,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2026-02-10T11:41:05,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2026-02-10T11:41:05,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2026-02-10T11:41:05,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2026-02-10T11:41:05,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2026-02-10T11:41:05,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:41:05,804 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 2026-02-10T11:41:05,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2026-02-10T11:41:05,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2026-02-10T11:41:05,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2026-02-10T11:41:05,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2026-02-10T11:41:05,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2026-02-10T11:41:05,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2026-02-10T11:41:05,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2026-02-10T11:41:05,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2026-02-10T11:41:05,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2026-02-10T11:41:05,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2026-02-10T11:41:05,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2026-02-10T11:41:05,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2026-02-10T11:41:05,825 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2026-02-10T11:41:05,826 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2026-02-10T11:41:05,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2026-02-10T11:41:05,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2026-02-10T11:41:05,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2026-02-10T11:41:05,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2026-02-10T11:41:05,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2026-02-10T11:41:05,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2026-02-10T11:41:05,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2026-02-10T11:41:05,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2026-02-10T11:41:05,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2026-02-10T11:41:05,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2026-02-10T11:41:05,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2026-02-10T11:41:05,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2026-02-10T11:41:05,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2026-02-10T11:41:05,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2026-02-10T11:41:05,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2026-02-10T11:41:05,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2026-02-10T11:41:05,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2026-02-10T11:41:05,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2026-02-10T11:41:05,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2026-02-10T11:41:05,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2026-02-10T11:41:05,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:41:05,860 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 2026-02-10T11:41:05,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2026-02-10T11:41:05,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2026-02-10T11:41:05,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2026-02-10T11:41:05,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2026-02-10T11:41:05,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2026-02-10T11:41:05,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2026-02-10T11:41:05,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2026-02-10T11:41:05,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2026-02-10T11:41:05,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2026-02-10T11:41:05,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2026-02-10T11:41:05,877 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2026-02-10T11:41:05,878 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2026-02-10T11:41:05,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2026-02-10T11:41:05,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2026-02-10T11:41:05,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2026-02-10T11:41:05,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2026-02-10T11:41:05,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2026-02-10T11:41:05,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2026-02-10T11:41:05,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2026-02-10T11:41:05,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2026-02-10T11:41:05,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2026-02-10T11:41:05,896 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 2026-02-10T11:41:05,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2026-02-10T11:41:05,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2026-02-10T11:41:05,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2026-02-10T11:41:05,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2026-02-10T11:41:05,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2026-02-10T11:41:05,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2026-02-10T11:41:05,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2026-02-10T11:41:05,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2026-02-10T11:41:05,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2026-02-10T11:41:05,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2026-02-10T11:41:05,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2026-02-10T11:41:05,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2026-02-10T11:41:05,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2026-02-10T11:41:05,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2026-02-10T11:41:05,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2026-02-10T11:41:05,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2026-02-10T11:41:05,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2026-02-10T11:41:05,924 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2026-02-10T11:41:05,926 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2026-02-10T11:41:05,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2026-02-10T11:41:05,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2026-02-10T11:41:05,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2026-02-10T11:41:05,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2026-02-10T11:41:05,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2026-02-10T11:41:05,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2026-02-10T11:41:05,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2026-02-10T11:41:05,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2026-02-10T11:41:05,942 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 2026-02-10T11:41:05,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2026-02-10T11:41:05,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2026-02-10T11:41:05,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2026-02-10T11:41:05,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2026-02-10T11:41:05,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2026-02-10T11:41:05,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2026-02-10T11:41:05,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2026-02-10T11:41:05,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2026-02-10T11:41:05,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2026-02-10T11:41:05,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2026-02-10T11:41:05,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2026-02-10T11:41:05,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2026-02-10T11:41:05,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2026-02-10T11:41:05,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2026-02-10T11:41:05,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2026-02-10T11:41:05,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2026-02-10T11:41:05,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2026-02-10T11:41:05,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2026-02-10T11:41:05,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2026-02-10T11:41:05,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2026-02-10T11:41:05,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2026-02-10T11:41:05,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2026-02-10T11:41:05,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2026-02-10T11:41:05,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2026-02-10T11:41:05,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2026-02-10T11:41:05,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2026-02-10T11:41:05,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2026-02-10T11:41:05,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2026-02-10T11:41:05,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2026-02-10T11:41:05,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2026-02-10T11:41:06,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2026-02-10T11:41:06,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2026-02-10T11:41:06,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2026-02-10T11:41:06,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2026-02-10T11:41:06,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2026-02-10T11:41:06,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2026-02-10T11:41:06,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2026-02-10T11:41:06,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2026-02-10T11:41:06,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2026-02-10T11:41:06,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2026-02-10T11:41:06,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2026-02-10T11:41:06,021 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 2026-02-10T11:41:06,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2026-02-10T11:41:06,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2026-02-10T11:41:06,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2026-02-10T11:41:06,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2026-02-10T11:41:06,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2026-02-10T11:41:06,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2026-02-10T11:41:06,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:41:06,038 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 2026-02-10T11:41:06,041 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2026-02-10T11:41:06,042 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2026-02-10T11:41:06,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2026-02-10T11:41:06,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2026-02-10T11:41:06,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2026-02-10T11:41:06,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2026-02-10T11:41:06,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:41:06,056 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 2026-02-10T11:41:06,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2026-02-10T11:41:06,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2026-02-10T11:41:06,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2026-02-10T11:41:06,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2026-02-10T11:41:06,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2026-02-10T11:41:06,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2026-02-10T11:41:06,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:41:06,072 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 2026-02-10T11:41:06,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:41:06,076 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 2026-02-10T11:41:06,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2026-02-10T11:41:06,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2026-02-10T11:41:06,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2026-02-10T11:41:06,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2026-02-10T11:41:06,088 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2026-02-10T11:41:06,089 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2026-02-10T11:41:06,092 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2026-02-10T11:41:06,093 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2026-02-10T11:41:06,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2026-02-10T11:41:06,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2026-02-10T11:41:06,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:41:06,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:41:06,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2026-02-10T11:41:06,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2026-02-10T11:41:06,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2026-02-10T11:41:06,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2026-02-10T11:41:06,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2026-02-10T11:41:06,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2026-02-10T11:41:06,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2026-02-10T11:41:06,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2026-02-10T11:41:06,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2026-02-10T11:41:06,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2026-02-10T11:41:06,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2026-02-10T11:41:06,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2026-02-10T11:41:06,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2026-02-10T11:41:06,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2026-02-10T11:41:06,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2026-02-10T11:41:06,131 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2026-02-10T11:41:06,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2026-02-10T11:41:06,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2026-02-10T11:41:06,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:41:06,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:41:06,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:41:06,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:41:06,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:41:06,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:41:06,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:41:06,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:41:06,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:41:06,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:41:06,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:41:06,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:41:06,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:41:06,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:41:06,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:41:06,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:41:06,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:41:06,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:41:06,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:41:06,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:41:06,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:41:06,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:41:06,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:41:06,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:41:06,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:41:06,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:41:06,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:41:06,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:41:06,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:41:06,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:41:06,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:41:06,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:41:06,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:41:06,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:41:06,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:41:06,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:41:06,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:41:06,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:41:06,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:41:06,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:41:06,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:41:06,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:41:06,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:41:06,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:41:06,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:41:06,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:41:06,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:41:06,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:41:06,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2026-02-10T11:41:06,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2026-02-10T11:41:06,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:41:06,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:41:06,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:41:06,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:41:06,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:41:06,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:41:06,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:41:06,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:41:06,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:41:06,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:41:06,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:41:06,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:41:06,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:41:06,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:41:06,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:41:06,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:41:06,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:41:06,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:41:06,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2026-02-10T11:41:06,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2026-02-10T11:41:06,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:41:06,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:41:06,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:41:06,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:41:06,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:41:06,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:41:06,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:41:06,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:41:06,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:41:06,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:41:06,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:06,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:06,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:06,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:06,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:06,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:06,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:06,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:06,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2026-02-10T11:41:06,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2026-02-10T11:41:06,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:06,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:06,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2026-02-10T11:41:06,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2026-02-10T11:41:06,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:06,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:06,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:06,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:06,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:06,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:06,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:06,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:06,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:06,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:06,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2026-02-10T11:41:06,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2026-02-10T11:41:06,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:06,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:06,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:06,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:06,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2026-02-10T11:41:06,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2026-02-10T11:41:06,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:06,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:06,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:06,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:06,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:06,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:06,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:06,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:06,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:06,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:06,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2026-02-10T11:41:06,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2026-02-10T11:41:06,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2026-02-10T11:41:06,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2026-02-10T11:41:06,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2026-02-10T11:41:06,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2026-02-10T11:41:06,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2026-02-10T11:41:06,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2026-02-10T11:41:06,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2026-02-10T11:41:06,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2026-02-10T11:41:06,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2026-02-10T11:41:06,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2026-02-10T11:41:06,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2026-02-10T11:41:06,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2026-02-10T11:41:06,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2026-02-10T11:41:06,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2026-02-10T11:41:06,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2026-02-10T11:41:06,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2026-02-10T11:41:06,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2026-02-10T11:41:06,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2026-02-10T11:41:06,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2026-02-10T11:41:06,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2026-02-10T11:41:06,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2026-02-10T11:41:06,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2026-02-10T11:41:06,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2026-02-10T11:41:06,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2026-02-10T11:41:06,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2026-02-10T11:41:06,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2026-02-10T11:41:06,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2026-02-10T11:41:06,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2026-02-10T11:41:06,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2026-02-10T11:41:06,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2026-02-10T11:41:06,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2026-02-10T11:41:06,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2026-02-10T11:41:06,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2026-02-10T11:41:06,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2026-02-10T11:41:06,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2026-02-10T11:41:06,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2026-02-10T11:41:06,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2026-02-10T11:41:06,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2026-02-10T11:41:06,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2026-02-10T11:41:06,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2026-02-10T11:41:06,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2026-02-10T11:41:06,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2026-02-10T11:41:06,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2026-02-10T11:41:06,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2026-02-10T11:41:06,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2026-02-10T11:41:06,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2026-02-10T11:41:06,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2026-02-10T11:41:06,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2026-02-10T11:41:06,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2026-02-10T11:41:06,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2026-02-10T11:41:06,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2026-02-10T11:41:06,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2026-02-10T11:41:06,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2026-02-10T11:41:06,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2026-02-10T11:41:06,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2026-02-10T11:41:06,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2026-02-10T11:41:06,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2026-02-10T11:41:06,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2026-02-10T11:41:06,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2026-02-10T11:41:06,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2026-02-10T11:41:06,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2026-02-10T11:41:06,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2026-02-10T11:41:06,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2026-02-10T11:41:06,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2026-02-10T11:41:06,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2026-02-10T11:41:06,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2026-02-10T11:41:06,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2026-02-10T11:41:06,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2026-02-10T11:41:06,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2026-02-10T11:41:06,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2026-02-10T11:41:06,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2026-02-10T11:41:06,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2026-02-10T11:41:06,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2026-02-10T11:41:06,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2026-02-10T11:41:06,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2026-02-10T11:41:06,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2026-02-10T11:41:06,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2026-02-10T11:41:06,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2026-02-10T11:41:06,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2026-02-10T11:41:06,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2026-02-10T11:41:06,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2026-02-10T11:41:06,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2026-02-10T11:41:06,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2026-02-10T11:41:06,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2026-02-10T11:41:06,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2026-02-10T11:41:06,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2026-02-10T11:41:06,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2026-02-10T11:41:06,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2026-02-10T11:41:06,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2026-02-10T11:41:06,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2026-02-10T11:41:06,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2026-02-10T11:41:06,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2026-02-10T11:41:06,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2026-02-10T11:41:06,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2026-02-10T11:41:06,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2026-02-10T11:41:06,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2026-02-10T11:41:06,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2026-02-10T11:41:06,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2026-02-10T11:41:06,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2026-02-10T11:41:06,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2026-02-10T11:41:06,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2026-02-10T11:41:06,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2026-02-10T11:41:06,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2026-02-10T11:41:06,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2026-02-10T11:41:06,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2026-02-10T11:41:06,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2026-02-10T11:41:06,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2026-02-10T11:41:06,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2026-02-10T11:41:06,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2026-02-10T11:41:06,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2026-02-10T11:41:06,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2026-02-10T11:41:06,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2026-02-10T11:41:06,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2026-02-10T11:41:06,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2026-02-10T11:41:06,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2026-02-10T11:41:06,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2026-02-10T11:41:06,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2026-02-10T11:41:06,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2026-02-10T11:41:06,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2026-02-10T11:41:06,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2026-02-10T11:41:06,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2026-02-10T11:41:06,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2026-02-10T11:41:06,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2026-02-10T11:41:06,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2026-02-10T11:41:06,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2026-02-10T11:41:06,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2026-02-10T11:41:06,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2026-02-10T11:41:06,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2026-02-10T11:41:06,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2026-02-10T11:41:06,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2026-02-10T11:41:06,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:41:06,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:41:06,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:41:06,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:41:06,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:41:06,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:41:06,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:41:06,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:41:06,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:41:06,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:41:06,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:41:06,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:41:06,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:41:06,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:41:06,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:41:06,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:41:06,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:41:06,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:41:06,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2026-02-10T11:41:06,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2026-02-10T11:41:06,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:41:06,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:41:06,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2026-02-10T11:41:06,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2026-02-10T11:41:06,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:41:06,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:41:06,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2026-02-10T11:41:06,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2026-02-10T11:41:06,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2026-02-10T11:41:06,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2026-02-10T11:41:06,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:41:06,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:41:06,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:41:06,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:41:06,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:41:06,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:41:06,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2026-02-10T11:41:06,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2026-02-10T11:41:06,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:41:06,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:41:06,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2026-02-10T11:41:06,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2026-02-10T11:41:06,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2026-02-10T11:41:06,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2026-02-10T11:41:06,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2026-02-10T11:41:06,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2026-02-10T11:41:06,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2026-02-10T11:41:06,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2026-02-10T11:41:06,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2026-02-10T11:41:06,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2026-02-10T11:41:06,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2026-02-10T11:41:06,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2026-02-10T11:41:06,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2026-02-10T11:41:06,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2026-02-10T11:41:06,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2026-02-10T11:41:06,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2026-02-10T11:41:06,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2026-02-10T11:41:06,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2026-02-10T11:41:06,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2026-02-10T11:41:06,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2026-02-10T11:41:06,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:06,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:06,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2026-02-10T11:41:06,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2026-02-10T11:41:06,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2026-02-10T11:41:06,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2026-02-10T11:41:06,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2026-02-10T11:41:06,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2026-02-10T11:41:06,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2026-02-10T11:41:06,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2026-02-10T11:41:06,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:06,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:06,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:06,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:06,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2026-02-10T11:41:06,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2026-02-10T11:41:06,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2026-02-10T11:41:06,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2026-02-10T11:41:06,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:06,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:06,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2026-02-10T11:41:06,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2026-02-10T11:41:06,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2026-02-10T11:41:06,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2026-02-10T11:41:06,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2026-02-10T11:41:06,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2026-02-10T11:41:06,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2026-02-10T11:41:06,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2026-02-10T11:41:06,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2026-02-10T11:41:06,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2026-02-10T11:41:06,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2026-02-10T11:41:06,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2026-02-10T11:41:06,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:06,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:06,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2026-02-10T11:41:06,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2026-02-10T11:41:06,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2026-02-10T11:41:06,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2026-02-10T11:41:06,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2026-02-10T11:41:06,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2026-02-10T11:41:06,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2026-02-10T11:41:06,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2026-02-10T11:41:06,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:06,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:06,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2026-02-10T11:41:06,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2026-02-10T11:41:06,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2026-02-10T11:41:06,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2026-02-10T11:41:06,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2026-02-10T11:41:06,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2026-02-10T11:41:06,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2026-02-10T11:41:06,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2026-02-10T11:41:06,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:06,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:06,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2026-02-10T11:41:06,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2026-02-10T11:41:06,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2026-02-10T11:41:06,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2026-02-10T11:41:06,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2026-02-10T11:41:06,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2026-02-10T11:41:06,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:06,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:06,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2026-02-10T11:41:06,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2026-02-10T11:41:06,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2026-02-10T11:41:06,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2026-02-10T11:41:06,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:06,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:06,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2026-02-10T11:41:06,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2026-02-10T11:41:06,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2026-02-10T11:41:06,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2026-02-10T11:41:06,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2026-02-10T11:41:06,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2026-02-10T11:41:06,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2026-02-10T11:41:06,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2026-02-10T11:41:06,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2026-02-10T11:41:06,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2026-02-10T11:41:06,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2026-02-10T11:41:06,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2026-02-10T11:41:06,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2026-02-10T11:41:06,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2026-02-10T11:41:06,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2026-02-10T11:41:06,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2026-02-10T11:41:06,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2026-02-10T11:41:06,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2026-02-10T11:41:06,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2026-02-10T11:41:06,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2026-02-10T11:41:06,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2026-02-10T11:41:06,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2026-02-10T11:41:06,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2026-02-10T11:41:06,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2026-02-10T11:41:06,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2026-02-10T11:41:06,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2026-02-10T11:41:06,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2026-02-10T11:41:06,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2026-02-10T11:41:06,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2026-02-10T11:41:06,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2026-02-10T11:41:06,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2026-02-10T11:41:06,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2026-02-10T11:41:06,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2026-02-10T11:41:06,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2026-02-10T11:41:06,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2026-02-10T11:41:06,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2026-02-10T11:41:06,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2026-02-10T11:41:06,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2026-02-10T11:41:06,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2026-02-10T11:41:06,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2026-02-10T11:41:06,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2026-02-10T11:41:06,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2026-02-10T11:41:06,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2026-02-10T11:41:06,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2026-02-10T11:41:06,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2026-02-10T11:41:06,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2026-02-10T11:41:06,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2026-02-10T11:41:06,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2026-02-10T11:41:06,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:41:06,899 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:41:06,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2026-02-10T11:41:06,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2026-02-10T11:41:06,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2026-02-10T11:41:06,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2026-02-10T11:41:06,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:41:06,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:41:06,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2026-02-10T11:41:06,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2026-02-10T11:41:06,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2026-02-10T11:41:06,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2026-02-10T11:41:06,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:41:06,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:41:06,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2026-02-10T11:41:06,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2026-02-10T11:41:06,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2026-02-10T11:41:06,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2026-02-10T11:41:06,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2026-02-10T11:41:06,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2026-02-10T11:41:06,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:41:06,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:41:06,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2026-02-10T11:41:06,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2026-02-10T11:41:06,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2026-02-10T11:41:06,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2026-02-10T11:41:06,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2026-02-10T11:41:06,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2026-02-10T11:41:06,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2026-02-10T11:41:06,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2026-02-10T11:41:06,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2026-02-10T11:41:06,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2026-02-10T11:41:06,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2026-02-10T11:41:06,959 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2026-02-10T11:41:06,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2026-02-10T11:41:06,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2026-02-10T11:41:06,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2026-02-10T11:41:06,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2026-02-10T11:41:06,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2026-02-10T11:41:06,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2026-02-10T11:41:06,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2026-02-10T11:41:06,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2026-02-10T11:41:06,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2026-02-10T11:41:06,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2026-02-10T11:41:06,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2026-02-10T11:41:06,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2026-02-10T11:41:06,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2026-02-10T11:41:06,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2026-02-10T11:41:06,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2026-02-10T11:41:06,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2026-02-10T11:41:06,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2026-02-10T11:41:06,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2026-02-10T11:41:06,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2026-02-10T11:41:06,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2026-02-10T11:41:06,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2026-02-10T11:41:06,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2026-02-10T11:41:06,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2026-02-10T11:41:06,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2026-02-10T11:41:07,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2026-02-10T11:41:07,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2026-02-10T11:41:07,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2026-02-10T11:41:07,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2026-02-10T11:41:07,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2026-02-10T11:41:07,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2026-02-10T11:41:07,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2026-02-10T11:41:07,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2026-02-10T11:41:07,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2026-02-10T11:41:07,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2026-02-10T11:41:07,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:41:07,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:41:07,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2026-02-10T11:41:07,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2026-02-10T11:41:07,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2026-02-10T11:41:07,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2026-02-10T11:41:07,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2026-02-10T11:41:07,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2026-02-10T11:41:07,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2026-02-10T11:41:07,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2026-02-10T11:41:07,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2026-02-10T11:41:07,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2026-02-10T11:41:07,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2026-02-10T11:41:07,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2026-02-10T11:41:07,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2026-02-10T11:41:07,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2026-02-10T11:41:07,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2026-02-10T11:41:07,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2026-02-10T11:41:07,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2026-02-10T11:41:07,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2026-02-10T11:41:07,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2026-02-10T11:41:07,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2026-02-10T11:41:07,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2026-02-10T11:41:07,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2026-02-10T11:41:07,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2026-02-10T11:41:07,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2026-02-10T11:41:07,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2026-02-10T11:41:07,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2026-02-10T11:41:07,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2026-02-10T11:41:07,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2026-02-10T11:41:07,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2026-02-10T11:41:07,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2026-02-10T11:41:07,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2026-02-10T11:41:07,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2026-02-10T11:41:07,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2026-02-10T11:41:07,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2026-02-10T11:41:07,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2026-02-10T11:41:07,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2026-02-10T11:41:07,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2026-02-10T11:41:07,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2026-02-10T11:41:07,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2026-02-10T11:41:07,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2026-02-10T11:41:07,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2026-02-10T11:41:07,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2026-02-10T11:41:07,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2026-02-10T11:41:07,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2026-02-10T11:41:07,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2026-02-10T11:41:07,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2026-02-10T11:41:07,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:41:07,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:41:07,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2026-02-10T11:41:07,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2026-02-10T11:41:07,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2026-02-10T11:41:07,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2026-02-10T11:41:07,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2026-02-10T11:41:07,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2026-02-10T11:41:07,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2026-02-10T11:41:07,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2026-02-10T11:41:07,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2026-02-10T11:41:07,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2026-02-10T11:41:07,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2026-02-10T11:41:07,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2026-02-10T11:41:07,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2026-02-10T11:41:07,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2026-02-10T11:41:07,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2026-02-10T11:41:07,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2026-02-10T11:41:07,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2026-02-10T11:41:07,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2026-02-10T11:41:07,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2026-02-10T11:41:07,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2026-02-10T11:41:07,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2026-02-10T11:41:07,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2026-02-10T11:41:07,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:07,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:07,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:07,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:07,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:07,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:07,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:07,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:07,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:07,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:07,160 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:07,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:07,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:07,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:07,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:07,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:07,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:07,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:07,174 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:07,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:07,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:07,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:07,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:07,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:07,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:07,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:07,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:07,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:07,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:07,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:07,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:07,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:07,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:07,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:07,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:07,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:07,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:07,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:07,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:07,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:07,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:07,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:07,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:07,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:07,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:07,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:07,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:07,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:07,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:07,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:07,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:07,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:07,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:07,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:07,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:07,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:07,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:07,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:07,243 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:07,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:07,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:07,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:07,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:07,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:07,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:07,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:07,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:07,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:07,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:07,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:07,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:07,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:07,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:07,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:07,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:07,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:07,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:07,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:07,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:07,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:07,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:07,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:07,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:07,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:07,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:07,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:07,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:07,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:07,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:07,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:07,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:07,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:07,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:07,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:07,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:07,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:07,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:07,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:07,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:07,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:07,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2026-02-10T11:41:07,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2026-02-10T11:41:07,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2026-02-10T11:41:07,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2026-02-10T11:41:07,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2026-02-10T11:41:07,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2026-02-10T11:41:07,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2026-02-10T11:41:07,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2026-02-10T11:41:07,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2026-02-10T11:41:07,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2026-02-10T11:41:07,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2026-02-10T11:41:07,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2026-02-10T11:41:07,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2026-02-10T11:41:07,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2026-02-10T11:41:07,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2026-02-10T11:41:07,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2026-02-10T11:41:07,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2026-02-10T11:41:07,353 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2026-02-10T11:41:07,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2026-02-10T11:41:07,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2026-02-10T11:41:07,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2026-02-10T11:41:07,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2026-02-10T11:41:07,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2026-02-10T11:41:07,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2026-02-10T11:41:07,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2026-02-10T11:41:07,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2026-02-10T11:41:07,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2026-02-10T11:41:07,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2026-02-10T11:41:07,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2026-02-10T11:41:07,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2026-02-10T11:41:07,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2026-02-10T11:41:07,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2026-02-10T11:41:07,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2026-02-10T11:41:07,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2026-02-10T11:41:07,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2026-02-10T11:41:07,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2026-02-10T11:41:07,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2026-02-10T11:41:07,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2026-02-10T11:41:07,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2026-02-10T11:41:07,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2026-02-10T11:41:07,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2026-02-10T11:41:07,401 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2026-02-10T11:41:07,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2026-02-10T11:41:07,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2026-02-10T11:41:07,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2026-02-10T11:41:07,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2026-02-10T11:41:07,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2026-02-10T11:41:07,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2026-02-10T11:41:07,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2026-02-10T11:41:07,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2026-02-10T11:41:07,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2026-02-10T11:41:07,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2026-02-10T11:41:07,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2026-02-10T11:41:07,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2026-02-10T11:41:07,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2026-02-10T11:41:07,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2026-02-10T11:41:07,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2026-02-10T11:41:07,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2026-02-10T11:41:07,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2026-02-10T11:41:07,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2026-02-10T11:41:07,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2026-02-10T11:41:07,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2026-02-10T11:41:07,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2026-02-10T11:41:07,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2026-02-10T11:41:07,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2026-02-10T11:41:07,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2026-02-10T11:41:07,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2026-02-10T11:41:07,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2026-02-10T11:41:07,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2026-02-10T11:41:07,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2026-02-10T11:41:07,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2026-02-10T11:41:07,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2026-02-10T11:41:07,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2026-02-10T11:41:07,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2026-02-10T11:41:07,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2026-02-10T11:41:07,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2026-02-10T11:41:07,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2026-02-10T11:41:07,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2026-02-10T11:41:07,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2026-02-10T11:41:07,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2026-02-10T11:41:07,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2026-02-10T11:41:07,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2026-02-10T11:41:07,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2026-02-10T11:41:07,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2026-02-10T11:41:07,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2026-02-10T11:41:07,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2026-02-10T11:41:07,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2026-02-10T11:41:07,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2026-02-10T11:41:07,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2026-02-10T11:41:07,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2026-02-10T11:41:07,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2026-02-10T11:41:07,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2026-02-10T11:41:07,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2026-02-10T11:41:07,496 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2026-02-10T11:41:07,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2026-02-10T11:41:07,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2026-02-10T11:41:07,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2026-02-10T11:41:07,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2026-02-10T11:41:07,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2026-02-10T11:41:07,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2026-02-10T11:41:07,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2026-02-10T11:41:07,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2026-02-10T11:41:07,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2026-02-10T11:41:07,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2026-02-10T11:41:07,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2026-02-10T11:41:07,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2026-02-10T11:41:07,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2026-02-10T11:41:07,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2026-02-10T11:41:07,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2026-02-10T11:41:07,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2026-02-10T11:41:07,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2026-02-10T11:41:07,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2026-02-10T11:41:07,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:07,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:07,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2026-02-10T11:41:07,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2026-02-10T11:41:07,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:07,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:07,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2026-02-10T11:41:07,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2026-02-10T11:41:07,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2026-02-10T11:41:07,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2026-02-10T11:41:07,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2026-02-10T11:41:07,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2026-02-10T11:41:07,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:07,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:07,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2026-02-10T11:41:07,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2026-02-10T11:41:07,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2026-02-10T11:41:07,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2026-02-10T11:41:07,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:41:07,564 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 2026-02-10T11:41:07,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:07,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:07,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2026-02-10T11:41:07,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2026-02-10T11:41:07,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:41:07,576 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 2026-02-10T11:41:07,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2026-02-10T11:41:07,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2026-02-10T11:41:07,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:07,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:07,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:41:07,588 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 2026-02-10T11:41:07,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:07,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:07,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:07,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:07,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2026-02-10T11:41:07,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2026-02-10T11:41:07,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:07,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:07,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:07,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:07,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2026-02-10T11:41:07,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2026-02-10T11:41:07,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:41:07,639 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 2026-02-10T11:41:07,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2026-02-10T11:41:07,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2026-02-10T11:41:07,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:07,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:07,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:07,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:07,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:41:07,663 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 2026-02-10T11:41:07,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2026-02-10T11:41:07,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2026-02-10T11:41:07,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:41:07,675 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 2026-02-10T11:41:07,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:41:07,682 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 2026-02-10T11:41:07,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:41:07,687 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 2026-02-10T11:41:07,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:41:07,692 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 2026-02-10T11:41:07,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:41:07,697 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 2026-02-10T11:41:07,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:41:07,703 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 2026-02-10T11:41:07,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:41:07,710 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 2026-02-10T11:41:07,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:41:07,716 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 2026-02-10T11:41:07,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:41:07,722 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 2026-02-10T11:41:07,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:41:07,728 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 2026-02-10T11:41:07,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:41:07,734 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 2026-02-10T11:41:07,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:07,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:07,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:07,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:07,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:07,747 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:07,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:41:07,751 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 2026-02-10T11:41:07,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:41:07,755 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 2026-02-10T11:41:07,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:07,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:07,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:41:07,764 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 2026-02-10T11:41:07,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:07,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:07,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:41:07,776 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 2026-02-10T11:41:07,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2026-02-10T11:41:07,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2026-02-10T11:41:07,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2026-02-10T11:41:07,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2026-02-10T11:41:07,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2026-02-10T11:41:07,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2026-02-10T11:41:07,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2026-02-10T11:41:07,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2026-02-10T11:41:07,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:07,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:07,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2026-02-10T11:41:07,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2026-02-10T11:41:07,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2026-02-10T11:41:07,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2026-02-10T11:41:07,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:07,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:07,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:07,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:07,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:07,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:07,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2026-02-10T11:41:07,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2026-02-10T11:41:07,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2026-02-10T11:41:07,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2026-02-10T11:41:07,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:07,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:07,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2026-02-10T11:41:07,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2026-02-10T11:41:07,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:07,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:07,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:07,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:07,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2026-02-10T11:41:07,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2026-02-10T11:41:07,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:07,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:07,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2026-02-10T11:41:07,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2026-02-10T11:41:07,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2026-02-10T11:41:07,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2026-02-10T11:41:07,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:07,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:07,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:07,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:07,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:07,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:07,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:07,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:07,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:07,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:07,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:07,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:07,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:07,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:07,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:07,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:07,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:07,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:07,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:07,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:07,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:07,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:07,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:07,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:07,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:07,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:07,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:07,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:07,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:07,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:07,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:07,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:07,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:07,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:07,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:07,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:07,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:07,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:07,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:07,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:07,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:07,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:07,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:07,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:07,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:07,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:07,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:07,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:07,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:07,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:07,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:07,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:07,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:07,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:07,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:07,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:07,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:07,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:07,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:07,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:07,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:07,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:07,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:07,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:07,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:07,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:07,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:07,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:07,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:07,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:07,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:08,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:08,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:08,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:08,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:08,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:08,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:08,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:08,013 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:08,014 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:08,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:08,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:08,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:08,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:08,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:08,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:08,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:08,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:08,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:08,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:08,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:08,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:08,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:08,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:08,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:08,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:08,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:08,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:08,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:08,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:08,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2026-02-10T11:41:08,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2026-02-10T11:41:08,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2026-02-10T11:41:08,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2026-02-10T11:41:08,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2026-02-10T11:41:08,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2026-02-10T11:41:08,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:41:08,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:41:08,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:41:08,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:41:08,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:41:08,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:41:08,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:41:08,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:41:08,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2026-02-10T11:41:08,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2026-02-10T11:41:08,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2026-02-10T11:41:08,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2026-02-10T11:41:08,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:41:08,087 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 2026-02-10T11:41:08,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2026-02-10T11:41:08,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2026-02-10T11:41:08,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:41:08,094 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 2026-02-10T11:41:08,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:41:08,097 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 2026-02-10T11:41:08,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2026-02-10T11:41:08,100 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2026-02-10T11:41:08,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2026-02-10T11:41:08,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2026-02-10T11:41:08,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2026-02-10T11:41:08,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2026-02-10T11:41:08,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2026-02-10T11:41:08,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2026-02-10T11:41:08,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:41:08,113 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 2026-02-10T11:41:08,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2026-02-10T11:41:08,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2026-02-10T11:41:08,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2026-02-10T11:41:08,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2026-02-10T11:41:08,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2026-02-10T11:41:08,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2026-02-10T11:41:08,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2026-02-10T11:41:08,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2026-02-10T11:41:08,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:41:08,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:41:08,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:41:08,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:41:08,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:41:08,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:41:08,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:41:08,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:41:08,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:41:08,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:41:08,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2026-02-10T11:41:08,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2026-02-10T11:41:08,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2026-02-10T11:41:08,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2026-02-10T11:41:08,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:41:08,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:41:08,163 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2026-02-10T11:41:08,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2026-02-10T11:41:08,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:41:08,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:41:08,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2026-02-10T11:41:08,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2026-02-10T11:41:08,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:41:08,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:41:08,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2026-02-10T11:41:08,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2026-02-10T11:41:08,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2026-02-10T11:41:08,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2026-02-10T11:41:08,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:41:08,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:41:08,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2026-02-10T11:41:08,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2026-02-10T11:41:08,191 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2026-02-10T11:41:08,192 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2026-02-10T11:41:08,194 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:41:08,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:41:08,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2026-02-10T11:41:08,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2026-02-10T11:41:08,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2026-02-10T11:41:08,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2026-02-10T11:41:08,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2026-02-10T11:41:08,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2026-02-10T11:41:08,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:41:08,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:41:08,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:41:08,211 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 2026-02-10T11:41:08,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2026-02-10T11:41:08,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2026-02-10T11:41:08,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2026-02-10T11:41:08,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2026-02-10T11:41:08,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2026-02-10T11:41:08,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2026-02-10T11:41:08,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2026-02-10T11:41:08,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2026-02-10T11:41:08,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2026-02-10T11:41:08,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2026-02-10T11:41:08,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2026-02-10T11:41:08,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2026-02-10T11:41:08,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2026-02-10T11:41:08,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2026-02-10T11:41:08,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2026-02-10T11:41:08,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2026-02-10T11:41:08,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2026-02-10T11:41:08,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2026-02-10T11:41:08,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:41:08,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:41:08,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:41:08,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:41:08,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2026-02-10T11:41:08,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2026-02-10T11:41:08,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:41:08,259 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 2026-02-10T11:41:08,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2026-02-10T11:41:08,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2026-02-10T11:41:08,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:41:08,266 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 2026-02-10T11:41:08,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2026-02-10T11:41:08,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2026-02-10T11:41:08,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2026-02-10T11:41:08,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2026-02-10T11:41:08,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2026-02-10T11:41:08,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2026-02-10T11:41:08,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2026-02-10T11:41:08,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2026-02-10T11:41:08,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2026-02-10T11:41:08,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2026-02-10T11:41:08,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2026-02-10T11:41:08,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2026-02-10T11:41:08,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2026-02-10T11:41:08,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2026-02-10T11:41:08,294 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2026-02-10T11:41:08,295 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2026-02-10T11:41:08,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2026-02-10T11:41:08,298 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2026-02-10T11:41:08,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2026-02-10T11:41:08,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2026-02-10T11:41:08,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2026-02-10T11:41:08,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2026-02-10T11:41:08,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2026-02-10T11:41:08,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2026-02-10T11:41:08,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2026-02-10T11:41:08,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2026-02-10T11:41:08,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2026-02-10T11:41:08,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2026-02-10T11:41:08,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2026-02-10T11:41:08,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2026-02-10T11:41:08,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2026-02-10T11:41:08,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2026-02-10T11:41:08,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2026-02-10T11:41:08,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2026-02-10T11:41:08,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2026-02-10T11:41:08,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2026-02-10T11:41:08,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2026-02-10T11:41:08,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2026-02-10T11:41:08,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2026-02-10T11:41:08,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2026-02-10T11:41:08,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2026-02-10T11:41:08,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2026-02-10T11:41:08,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2026-02-10T11:41:08,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2026-02-10T11:41:08,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2026-02-10T11:41:08,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2026-02-10T11:41:08,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2026-02-10T11:41:08,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2026-02-10T11:41:08,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2026-02-10T11:41:08,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2026-02-10T11:41:08,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2026-02-10T11:41:08,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2026-02-10T11:41:08,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2026-02-10T11:41:08,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2026-02-10T11:41:08,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2026-02-10T11:41:08,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2026-02-10T11:41:08,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2026-02-10T11:41:08,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2026-02-10T11:41:08,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2026-02-10T11:41:08,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2026-02-10T11:41:08,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2026-02-10T11:41:08,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2026-02-10T11:41:08,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2026-02-10T11:41:08,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2026-02-10T11:41:08,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2026-02-10T11:41:08,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2026-02-10T11:41:08,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2026-02-10T11:41:08,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2026-02-10T11:41:08,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2026-02-10T11:41:08,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2026-02-10T11:41:08,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2026-02-10T11:41:08,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2026-02-10T11:41:08,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2026-02-10T11:41:08,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2026-02-10T11:41:08,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2026-02-10T11:41:08,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2026-02-10T11:41:08,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2026-02-10T11:41:08,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2026-02-10T11:41:08,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2026-02-10T11:41:08,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2026-02-10T11:41:08,407 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2026-02-10T11:41:08,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2026-02-10T11:41:08,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2026-02-10T11:41:08,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2026-02-10T11:41:08,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2026-02-10T11:41:08,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2026-02-10T11:41:08,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2026-02-10T11:41:08,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2026-02-10T11:41:08,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2026-02-10T11:41:08,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2026-02-10T11:41:08,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2026-02-10T11:41:08,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2026-02-10T11:41:08,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2026-02-10T11:41:08,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2026-02-10T11:41:08,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2026-02-10T11:41:08,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2026-02-10T11:41:08,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2026-02-10T11:41:08,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2026-02-10T11:41:08,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2026-02-10T11:41:08,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2026-02-10T11:41:08,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2026-02-10T11:41:08,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2026-02-10T11:41:08,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2026-02-10T11:41:08,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2026-02-10T11:41:08,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2026-02-10T11:41:08,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2026-02-10T11:41:08,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2026-02-10T11:41:08,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2026-02-10T11:41:08,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2026-02-10T11:41:08,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2026-02-10T11:41:08,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2026-02-10T11:41:08,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2026-02-10T11:41:08,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2026-02-10T11:41:08,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2026-02-10T11:41:08,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2026-02-10T11:41:08,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2026-02-10T11:41:08,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2026-02-10T11:41:08,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2026-02-10T11:41:08,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2026-02-10T11:41:08,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2026-02-10T11:41:08,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2026-02-10T11:41:08,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2026-02-10T11:41:08,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2026-02-10T11:41:08,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2026-02-10T11:41:08,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2026-02-10T11:41:08,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2026-02-10T11:41:08,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2026-02-10T11:41:08,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2026-02-10T11:41:08,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2026-02-10T11:41:08,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2026-02-10T11:41:08,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:41:08,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:41:08,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:41:08,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:41:08,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2026-02-10T11:41:08,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2026-02-10T11:41:08,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:41:08,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:41:08,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2026-02-10T11:41:08,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2026-02-10T11:41:08,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:41:08,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:41:08,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2026-02-10T11:41:08,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2026-02-10T11:41:08,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2026-02-10T11:41:08,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2026-02-10T11:41:08,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2026-02-10T11:41:08,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2026-02-10T11:41:08,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2026-02-10T11:41:08,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2026-02-10T11:41:08,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2026-02-10T11:41:08,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2026-02-10T11:41:08,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2026-02-10T11:41:08,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2026-02-10T11:41:08,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2026-02-10T11:41:08,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2026-02-10T11:41:08,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2026-02-10T11:41:08,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2026-02-10T11:41:08,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2026-02-10T11:41:08,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2026-02-10T11:41:08,549 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:41:08,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:41:08,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:41:08,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:41:08,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:41:08,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:41:08,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2026-02-10T11:41:08,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2026-02-10T11:41:08,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2026-02-10T11:41:08,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2026-02-10T11:41:08,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2026-02-10T11:41:08,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2026-02-10T11:41:08,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2026-02-10T11:41:08,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2026-02-10T11:41:08,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2026-02-10T11:41:08,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2026-02-10T11:41:08,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2026-02-10T11:41:08,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2026-02-10T11:41:08,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:41:08,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:41:08,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2026-02-10T11:41:08,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2026-02-10T11:41:08,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:41:08,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:41:08,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:08,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:08,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:08,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:08,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:08,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:08,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:08,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:08,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:08,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:08,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:08,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:08,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:08,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:08,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:08,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:08,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:08,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:08,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:08,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:08,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:08,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:08,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:08,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:08,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:08,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:08,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:08,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:08,655 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:08,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:08,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:08,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:08,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:08,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:08,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:08,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:08,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:08,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:08,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:08,683 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:08,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2026-02-10T11:41:08,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2026-02-10T11:41:08,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2026-02-10T11:41:08,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2026-02-10T11:41:08,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2026-02-10T11:41:08,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2026-02-10T11:41:08,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:08,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:08,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2026-02-10T11:41:08,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2026-02-10T11:41:08,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2026-02-10T11:41:08,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2026-02-10T11:41:08,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2026-02-10T11:41:08,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2026-02-10T11:41:08,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2026-02-10T11:41:08,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2026-02-10T11:41:08,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2026-02-10T11:41:08,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2026-02-10T11:41:08,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2026-02-10T11:41:08,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2026-02-10T11:41:08,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2026-02-10T11:41:08,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2026-02-10T11:41:08,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2026-02-10T11:41:08,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2026-02-10T11:41:08,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2026-02-10T11:41:08,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2026-02-10T11:41:08,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2026-02-10T11:41:08,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2026-02-10T11:41:08,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2026-02-10T11:41:08,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2026-02-10T11:41:08,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2026-02-10T11:41:08,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2026-02-10T11:41:08,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2026-02-10T11:41:08,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2026-02-10T11:41:08,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2026-02-10T11:41:08,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2026-02-10T11:41:08,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2026-02-10T11:41:08,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2026-02-10T11:41:08,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2026-02-10T11:41:08,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2026-02-10T11:41:08,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2026-02-10T11:41:08,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2026-02-10T11:41:08,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2026-02-10T11:41:08,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2026-02-10T11:41:08,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2026-02-10T11:41:08,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2026-02-10T11:41:08,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2026-02-10T11:41:08,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2026-02-10T11:41:08,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2026-02-10T11:41:08,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2026-02-10T11:41:08,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2026-02-10T11:41:08,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2026-02-10T11:41:08,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2026-02-10T11:41:08,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2026-02-10T11:41:08,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2026-02-10T11:41:08,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2026-02-10T11:41:08,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2026-02-10T11:41:08,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2026-02-10T11:41:08,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2026-02-10T11:41:08,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2026-02-10T11:41:08,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2026-02-10T11:41:08,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2026-02-10T11:41:08,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2026-02-10T11:41:08,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2026-02-10T11:41:08,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2026-02-10T11:41:08,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2026-02-10T11:41:08,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2026-02-10T11:41:08,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2026-02-10T11:41:08,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2026-02-10T11:41:08,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2026-02-10T11:41:08,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2026-02-10T11:41:08,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2026-02-10T11:41:08,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2026-02-10T11:41:08,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2026-02-10T11:41:08,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2026-02-10T11:41:08,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2026-02-10T11:41:08,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2026-02-10T11:41:08,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2026-02-10T11:41:08,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:41:08,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:41:08,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:41:08,844 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 2026-02-10T11:41:08,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2026-02-10T11:41:08,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2026-02-10T11:41:08,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2026-02-10T11:41:08,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2026-02-10T11:41:08,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2026-02-10T11:41:08,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2026-02-10T11:41:08,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2026-02-10T11:41:08,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2026-02-10T11:41:08,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2026-02-10T11:41:08,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2026-02-10T11:41:08,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2026-02-10T11:41:08,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2026-02-10T11:41:08,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:41:08,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:41:08,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2026-02-10T11:41:08,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2026-02-10T11:41:08,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2026-02-10T11:41:08,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2026-02-10T11:41:08,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:41:08,891 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 2026-02-10T11:41:08,894 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2026-02-10T11:41:08,895 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2026-02-10T11:41:08,898 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2026-02-10T11:41:08,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2026-02-10T11:41:08,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2026-02-10T11:41:08,904 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2026-02-10T11:41:08,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2026-02-10T11:41:08,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2026-02-10T11:41:08,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:08,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:08,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:08,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:08,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:08,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:08,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:08,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:08,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:08,928 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:08,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:08,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:08,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:08,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:08,937 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:08,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:08,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:08,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:08,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:08,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:08,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:08,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:08,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:08,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:08,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2026-02-10T11:41:08,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2026-02-10T11:41:08,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2026-02-10T11:41:08,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2026-02-10T11:41:08,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2026-02-10T11:41:08,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2026-02-10T11:41:08,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2026-02-10T11:41:08,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2026-02-10T11:41:08,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2026-02-10T11:41:08,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2026-02-10T11:41:08,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2026-02-10T11:41:08,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2026-02-10T11:41:08,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2026-02-10T11:41:08,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2026-02-10T11:41:08,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2026-02-10T11:41:08,984 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2026-02-10T11:41:08,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2026-02-10T11:41:08,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2026-02-10T11:41:08,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2026-02-10T11:41:08,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2026-02-10T11:41:08,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2026-02-10T11:41:08,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2026-02-10T11:41:08,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2026-02-10T11:41:09,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2026-02-10T11:41:09,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2026-02-10T11:41:09,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2026-02-10T11:41:09,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2026-02-10T11:41:09,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2026-02-10T11:41:09,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2026-02-10T11:41:09,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2026-02-10T11:41:09,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2026-02-10T11:41:09,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2026-02-10T11:41:09,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2026-02-10T11:41:09,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2026-02-10T11:41:09,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2026-02-10T11:41:09,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2026-02-10T11:41:09,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2026-02-10T11:41:09,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2026-02-10T11:41:09,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2026-02-10T11:41:09,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2026-02-10T11:41:09,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2026-02-10T11:41:09,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2026-02-10T11:41:09,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2026-02-10T11:41:09,036 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2026-02-10T11:41:09,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2026-02-10T11:41:09,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2026-02-10T11:41:09,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2026-02-10T11:41:09,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2026-02-10T11:41:09,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:41:09,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:41:09,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:41:09,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:41:09,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:41:09,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:41:09,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:41:09,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:41:09,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:41:09,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:41:09,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:41:09,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:41:09,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:41:09,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:41:09,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:41:09,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:41:09,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:41:09,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:41:09,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:41:09,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:41:09,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:41:09,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:41:09,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:41:09,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:41:09,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:41:09,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:41:09,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:41:09,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:41:09,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2026-02-10T11:41:09,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2026-02-10T11:41:09,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:41:09,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:41:09,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:41:09,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:41:09,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:41:09,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:41:09,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:41:09,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:41:09,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:41:09,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:41:09,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:41:09,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:41:09,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2026-02-10T11:41:09,124 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2026-02-10T11:41:09,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:41:09,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:41:09,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:41:09,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:41:09,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:41:09,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:41:09,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:41:09,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:41:09,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:41:09,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:41:09,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:41:09,145 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+ 2026-02-10T11:41:09,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:09,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:09,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:09,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:09,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2026-02-10T11:41:09,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2026-02-10T11:41:09,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2026-02-10T11:41:09,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2026-02-10T11:41:09,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:09,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:09,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:41:09,166 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+ 2026-02-10T11:41:09,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:41:09,170 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- 2026-02-10T11:41:09,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:09,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:09,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:41:09,177 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- 2026-02-10T11:41:09,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:09,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:09,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:41:09,185 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- 2026-02-10T11:41:09,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:09,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:09,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:09,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:09,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:09,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:09,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:09,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:09,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:09,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:09,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:41:09,206 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- 2026-02-10T11:41:09,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2026-02-10T11:41:09,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2026-02-10T11:41:09,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2026-02-10T11:41:09,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2026-02-10T11:41:09,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2026-02-10T11:41:09,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2026-02-10T11:41:09,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2026-02-10T11:41:09,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2026-02-10T11:41:09,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2026-02-10T11:41:09,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2026-02-10T11:41:09,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2026-02-10T11:41:09,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2026-02-10T11:41:09,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2026-02-10T11:41:09,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2026-02-10T11:41:09,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2026-02-10T11:41:09,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2026-02-10T11:41:09,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2026-02-10T11:41:09,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2026-02-10T11:41:09,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2026-02-10T11:41:09,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2026-02-10T11:41:09,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2026-02-10T11:41:09,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2026-02-10T11:41:09,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2026-02-10T11:41:09,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2026-02-10T11:41:09,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2026-02-10T11:41:09,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2026-02-10T11:41:09,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2026-02-10T11:41:09,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2026-02-10T11:41:09,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2026-02-10T11:41:09,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2026-02-10T11:41:09,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2026-02-10T11:41:09,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2026-02-10T11:41:09,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2026-02-10T11:41:09,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2026-02-10T11:41:09,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2026-02-10T11:41:09,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2026-02-10T11:41:09,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2026-02-10T11:41:09,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2026-02-10T11:41:09,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2026-02-10T11:41:09,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2026-02-10T11:41:09,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2026-02-10T11:41:09,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2026-02-10T11:41:09,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2026-02-10T11:41:09,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2026-02-10T11:41:09,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2026-02-10T11:41:09,291 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2026-02-10T11:41:09,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2026-02-10T11:41:09,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2026-02-10T11:41:09,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2026-02-10T11:41:09,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2026-02-10T11:41:09,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2026-02-10T11:41:09,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2026-02-10T11:41:09,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2026-02-10T11:41:09,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2026-02-10T11:41:09,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2026-02-10T11:41:09,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2026-02-10T11:41:09,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2026-02-10T11:41:09,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2026-02-10T11:41:09,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2026-02-10T11:41:09,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2026-02-10T11:41:09,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2026-02-10T11:41:09,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2026-02-10T11:41:09,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2026-02-10T11:41:09,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2026-02-10T11:41:09,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2026-02-10T11:41:09,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2026-02-10T11:41:09,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2026-02-10T11:41:09,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2026-02-10T11:41:09,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2026-02-10T11:41:09,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2026-02-10T11:41:09,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2026-02-10T11:41:09,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2026-02-10T11:41:09,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2026-02-10T11:41:09,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2026-02-10T11:41:09,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2026-02-10T11:41:09,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2026-02-10T11:41:09,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2026-02-10T11:41:09,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2026-02-10T11:41:09,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2026-02-10T11:41:09,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2026-02-10T11:41:09,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2026-02-10T11:41:09,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2026-02-10T11:41:09,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2026-02-10T11:41:09,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2026-02-10T11:41:09,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2026-02-10T11:41:09,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2026-02-10T11:41:09,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2026-02-10T11:41:09,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2026-02-10T11:41:09,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2026-02-10T11:41:09,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2026-02-10T11:41:09,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2026-02-10T11:41:09,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2026-02-10T11:41:09,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2026-02-10T11:41:09,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2026-02-10T11:41:09,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2026-02-10T11:41:09,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2026-02-10T11:41:09,384 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2026-02-10T11:41:09,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2026-02-10T11:41:09,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2026-02-10T11:41:09,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2026-02-10T11:41:09,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2026-02-10T11:41:09,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2026-02-10T11:41:09,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2026-02-10T11:41:09,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2026-02-10T11:41:09,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2026-02-10T11:41:09,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2026-02-10T11:41:09,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2026-02-10T11:41:09,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2026-02-10T11:41:09,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2026-02-10T11:41:09,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2026-02-10T11:41:09,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2026-02-10T11:41:09,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2026-02-10T11:41:09,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2026-02-10T11:41:09,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2026-02-10T11:41:09,420 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2026-02-10T11:41:09,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2026-02-10T11:41:09,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:09,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:09,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:09,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:09,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:09,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:09,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:09,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:09,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:09,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:09,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:09,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:09,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:09,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:09,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:09,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:09,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:09,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:09,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:09,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:09,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:09,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:09,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:09,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:09,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2026-02-10T11:41:09,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2026-02-10T11:41:09,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:09,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:09,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2026-02-10T11:41:09,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2026-02-10T11:41:09,484 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2026-02-10T11:41:09,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2026-02-10T11:41:09,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:09,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:09,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:09,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:09,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:41:09,499 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 2026-02-10T11:41:09,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:09,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:09,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2026-02-10T11:41:09,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2026-02-10T11:41:09,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:09,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:09,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:09,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:09,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:09,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:09,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:09,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:09,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:09,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:09,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2026-02-10T11:41:09,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2026-02-10T11:41:09,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2026-02-10T11:41:09,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2026-02-10T11:41:09,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:09,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:09,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:09,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:09,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:09,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:09,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2026-02-10T11:41:09,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2026-02-10T11:41:09,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2026-02-10T11:41:09,547 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2026-02-10T11:41:09,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:09,551 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:09,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:09,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:09,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2026-02-10T11:41:09,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2026-02-10T11:41:09,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:09,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:09,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:09,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:09,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:09,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:09,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2026-02-10T11:41:09,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2026-02-10T11:41:09,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:09,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:09,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:09,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:09,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2026-02-10T11:41:09,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2026-02-10T11:41:09,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2026-02-10T11:41:09,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2026-02-10T11:41:09,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:09,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:09,593 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2026-02-10T11:41:09,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2026-02-10T11:41:09,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2026-02-10T11:41:09,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2026-02-10T11:41:09,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:09,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:09,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:09,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:09,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2026-02-10T11:41:09,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2026-02-10T11:41:09,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:09,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:09,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2026-02-10T11:41:09,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2026-02-10T11:41:09,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2026-02-10T11:41:09,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2026-02-10T11:41:09,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:09,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:09,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2026-02-10T11:41:09,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2026-02-10T11:41:09,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2026-02-10T11:41:09,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2026-02-10T11:41:09,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:09,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:09,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2026-02-10T11:41:09,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2026-02-10T11:41:09,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:09,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:09,643 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2026-02-10T11:41:09,644 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2026-02-10T11:41:09,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:09,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:09,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2026-02-10T11:41:09,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2026-02-10T11:41:09,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2026-02-10T11:41:09,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2026-02-10T11:41:09,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:09,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:09,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:09,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:09,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2026-02-10T11:41:09,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2026-02-10T11:41:09,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:09,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:09,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:41:09,673 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 2026-02-10T11:41:09,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:09,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:09,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:09,681 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:09,684 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:09,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:09,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2026-02-10T11:41:09,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2026-02-10T11:41:09,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:09,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:09,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2026-02-10T11:41:09,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2026-02-10T11:41:09,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:09,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:09,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2026-02-10T11:41:09,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2026-02-10T11:41:09,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:09,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:09,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2026-02-10T11:41:09,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2026-02-10T11:41:09,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:09,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:09,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:09,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:09,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2026-02-10T11:41:09,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2026-02-10T11:41:09,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:09,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:09,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2026-02-10T11:41:09,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2026-02-10T11:41:09,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:41:09,731 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 2026-02-10T11:41:09,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:09,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:09,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:09,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:09,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2026-02-10T11:41:09,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2026-02-10T11:41:09,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:09,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:09,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2026-02-10T11:41:09,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2026-02-10T11:41:09,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2026-02-10T11:41:09,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2026-02-10T11:41:09,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:09,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:09,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:09,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:09,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:09,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:09,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:09,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:09,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:09,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:09,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2026-02-10T11:41:09,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2026-02-10T11:41:09,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2026-02-10T11:41:09,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2026-02-10T11:41:09,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:09,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:09,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2026-02-10T11:41:09,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2026-02-10T11:41:09,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2026-02-10T11:41:09,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2026-02-10T11:41:09,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:09,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:09,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:09,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:09,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:09,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:09,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:09,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:09,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2026-02-10T11:41:09,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2026-02-10T11:41:09,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:09,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:09,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2026-02-10T11:41:09,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2026-02-10T11:41:09,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:09,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:09,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:09,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:09,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:09,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:09,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:09,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:09,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:09,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:09,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:09,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:09,844 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:09,845 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:09,848 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2026-02-10T11:41:09,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2026-02-10T11:41:09,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2026-02-10T11:41:09,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2026-02-10T11:41:09,855 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:09,856 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:09,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2026-02-10T11:41:09,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2026-02-10T11:41:09,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:09,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:09,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:09,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:09,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:09,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:09,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:09,872 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:09,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2026-02-10T11:41:09,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2026-02-10T11:41:09,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2026-02-10T11:41:09,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2026-02-10T11:41:09,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:09,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:09,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:09,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:09,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2026-02-10T11:41:09,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2026-02-10T11:41:09,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:09,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:09,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:09,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:09,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:09,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:09,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2026-02-10T11:41:09,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2026-02-10T11:41:09,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:09,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:09,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:09,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:09,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:09,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:09,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2026-02-10T11:41:09,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2026-02-10T11:41:09,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:09,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:09,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:09,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:09,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2026-02-10T11:41:09,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2026-02-10T11:41:09,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2026-02-10T11:41:09,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2026-02-10T11:41:09,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2026-02-10T11:41:09,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2026-02-10T11:41:09,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2026-02-10T11:41:09,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2026-02-10T11:41:09,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2026-02-10T11:41:09,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2026-02-10T11:41:09,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:09,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:09,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:09,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:09,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:09,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:09,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:09,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:09,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:09,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:09,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:09,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:09,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2026-02-10T11:41:09,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2026-02-10T11:41:09,971 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2026-02-10T11:41:09,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2026-02-10T11:41:09,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2026-02-10T11:41:09,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2026-02-10T11:41:09,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2026-02-10T11:41:09,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2026-02-10T11:41:09,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2026-02-10T11:41:09,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2026-02-10T11:41:09,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2026-02-10T11:41:09,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2026-02-10T11:41:09,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2026-02-10T11:41:09,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2026-02-10T11:41:09,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2026-02-10T11:41:09,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2026-02-10T11:41:09,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:09,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:10,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:10,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:10,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2026-02-10T11:41:10,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2026-02-10T11:41:10,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:10,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:10,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:10,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:10,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:10,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:10,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2026-02-10T11:41:10,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2026-02-10T11:41:10,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:10,026 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:10,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2026-02-10T11:41:10,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2026-02-10T11:41:10,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:10,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:10,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2026-02-10T11:41:10,038 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2026-02-10T11:41:10,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:10,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:10,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:10,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:10,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:10,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:10,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2026-02-10T11:41:10,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2026-02-10T11:41:10,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2026-02-10T11:41:10,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2026-02-10T11:41:10,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:10,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:10,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2026-02-10T11:41:10,060 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2026-02-10T11:41:10,063 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2026-02-10T11:41:10,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2026-02-10T11:41:10,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:10,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:10,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:10,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:10,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:10,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:10,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2026-02-10T11:41:10,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2026-02-10T11:41:10,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2026-02-10T11:41:10,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2026-02-10T11:41:10,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:10,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:10,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2026-02-10T11:41:10,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2026-02-10T11:41:10,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2026-02-10T11:41:10,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2026-02-10T11:41:10,091 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2026-02-10T11:41:10,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2026-02-10T11:41:10,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2026-02-10T11:41:10,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2026-02-10T11:41:10,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2026-02-10T11:41:10,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2026-02-10T11:41:10,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2026-02-10T11:41:10,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2026-02-10T11:41:10,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2026-02-10T11:41:10,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2026-02-10T11:41:10,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2026-02-10T11:41:10,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2026-02-10T11:41:10,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2026-02-10T11:41:10,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2026-02-10T11:41:10,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2026-02-10T11:41:10,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2026-02-10T11:41:10,116 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2026-02-10T11:41:10,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2026-02-10T11:41:10,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2026-02-10T11:41:10,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2026-02-10T11:41:10,123 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2026-02-10T11:41:10,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2026-02-10T11:41:10,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2026-02-10T11:41:10,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2026-02-10T11:41:10,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2026-02-10T11:41:10,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2026-02-10T11:41:10,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2026-02-10T11:41:10,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2026-02-10T11:41:10,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2026-02-10T11:41:10,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2026-02-10T11:41:10,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2026-02-10T11:41:10,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2026-02-10T11:41:10,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2026-02-10T11:41:10,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2026-02-10T11:41:10,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2026-02-10T11:41:10,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2026-02-10T11:41:10,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2026-02-10T11:41:10,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2026-02-10T11:41:10,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2026-02-10T11:41:10,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2026-02-10T11:41:10,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2026-02-10T11:41:10,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2026-02-10T11:41:10,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2026-02-10T11:41:10,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2026-02-10T11:41:10,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2026-02-10T11:41:10,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2026-02-10T11:41:10,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2026-02-10T11:41:10,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2026-02-10T11:41:10,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2026-02-10T11:41:10,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2026-02-10T11:41:10,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2026-02-10T11:41:10,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2026-02-10T11:41:10,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2026-02-10T11:41:10,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2026-02-10T11:41:10,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2026-02-10T11:41:10,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2026-02-10T11:41:10,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2026-02-10T11:41:10,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2026-02-10T11:41:10,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2026-02-10T11:41:10,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2026-02-10T11:41:10,199 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2026-02-10T11:41:10,200 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2026-02-10T11:41:10,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2026-02-10T11:41:10,204 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2026-02-10T11:41:10,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2026-02-10T11:41:10,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2026-02-10T11:41:10,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2026-02-10T11:41:10,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2026-02-10T11:41:10,216 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2026-02-10T11:41:10,217 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2026-02-10T11:41:10,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2026-02-10T11:41:10,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2026-02-10T11:41:10,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2026-02-10T11:41:10,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2026-02-10T11:41:10,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2026-02-10T11:41:10,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2026-02-10T11:41:10,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2026-02-10T11:41:10,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2026-02-10T11:41:10,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2026-02-10T11:41:10,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2026-02-10T11:41:10,250 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2026-02-10T11:41:10,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2026-02-10T11:41:10,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2026-02-10T11:41:10,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2026-02-10T11:41:10,260 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2026-02-10T11:41:10,261 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2026-02-10T11:41:10,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2026-02-10T11:41:10,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2026-02-10T11:41:10,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2026-02-10T11:41:10,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2026-02-10T11:41:10,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:10,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:10,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:10,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:10,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:10,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:10,293 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:10,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:10,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:10,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:10,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:10,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:10,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:10,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:10,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:10,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:10,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:10,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:10,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:10,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:10,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:10,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:10,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:10,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:10,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:10,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:10,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:10,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:10,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:10,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:10,355 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:10,356 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:10,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:10,360 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:10,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:10,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:10,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:10,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:10,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:10,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:10,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:10,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:10,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:10,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:10,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:10,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:10,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:10,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:10,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:10,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:10,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:10,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:10,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:10,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:10,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:10,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:10,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:10,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:10,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:10,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:10,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:10,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:10,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:10,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:10,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:10,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:10,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:10,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:10,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:10,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:10,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:10,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:10,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:10,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:10,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:10,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:10,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:10,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:10,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:10,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:10,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:10,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:10,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:10,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:10,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:10,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:10,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2026-02-10T11:41:10,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2026-02-10T11:41:10,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2026-02-10T11:41:10,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2026-02-10T11:41:10,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:10,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:10,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:10,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:10,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:10,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:10,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:10,479 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:10,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:10,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:10,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:10,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:10,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:10,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:10,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:10,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:10,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:41:10,499 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 2026-02-10T11:41:10,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:10,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:10,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:41:10,505 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 2026-02-10T11:41:10,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:41:10,508 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 2026-02-10T11:41:10,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:41:10,511 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 2026-02-10T11:41:10,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:41:10,514 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 2026-02-10T11:41:10,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:10,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:10,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:10,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:10,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2026-02-10T11:41:10,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2026-02-10T11:41:10,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:41:10,527 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 2026-02-10T11:41:10,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:10,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:10,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:41:10,534 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 2026-02-10T11:41:10,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2026-02-10T11:41:10,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2026-02-10T11:41:10,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:41:10,540 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 2026-02-10T11:41:10,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:41:10,543 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 2026-02-10T11:41:10,545 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:10,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:10,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:41:10,549 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 2026-02-10T11:41:10,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:41:10,553 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 2026-02-10T11:41:10,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:10,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:10,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:41:10,561 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 2026-02-10T11:41:10,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:41:10,565 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 2026-02-10T11:41:10,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:10,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:10,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:10,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:10,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:10,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:10,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2026-02-10T11:41:10,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2026-02-10T11:41:10,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:10,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:10,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:10,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:10,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:41:10,591 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 2026-02-10T11:41:10,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:10,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:10,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:10,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:10,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:10,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:10,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:41:10,607 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 2026-02-10T11:41:10,610 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:10,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:10,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:10,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:10,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:10,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:10,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:10,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:10,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:41:10,626 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 2026-02-10T11:41:10,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:41:10,629 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 2026-02-10T11:41:10,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:41:10,632 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 2026-02-10T11:41:10,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:10,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:10,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2026-02-10T11:41:10,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2026-02-10T11:41:10,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:10,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:10,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:10,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:10,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2026-02-10T11:41:10,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2026-02-10T11:41:10,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:41:10,654 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 2026-02-10T11:41:10,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2026-02-10T11:41:10,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2026-02-10T11:41:10,659 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:10,660 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:10,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:10,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:10,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:10,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:10,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:41:10,674 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 2026-02-10T11:41:10,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:10,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:10,680 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:10,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:10,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:10,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:10,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:10,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:10,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:41:10,693 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 2026-02-10T11:41:10,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2026-02-10T11:41:10,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2026-02-10T11:41:10,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:10,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:10,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:41:10,703 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 2026-02-10T11:41:10,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:10,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:10,710 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2026-02-10T11:41:10,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2026-02-10T11:41:10,714 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:41:10,715 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 2026-02-10T11:41:10,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:41:10,718 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 2026-02-10T11:41:10,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:10,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:10,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:41:10,725 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 2026-02-10T11:41:10,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:41:10,728 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 2026-02-10T11:41:10,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:41:10,732 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 2026-02-10T11:41:10,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:41:10,735 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 2026-02-10T11:41:10,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:10,739 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:10,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:41:10,743 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 2026-02-10T11:41:10,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:41:10,747 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 2026-02-10T11:41:10,749 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:10,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:10,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:10,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:10,756 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:41:10,757 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 2026-02-10T11:41:10,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:10,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:10,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:41:10,763 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 2026-02-10T11:41:10,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:41:10,767 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 2026-02-10T11:41:10,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:41:10,770 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 2026-02-10T11:41:10,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:41:10,773 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 2026-02-10T11:41:10,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:10,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:10,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:41:10,780 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 2026-02-10T11:41:10,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:10,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:10,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:10,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:10,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:41:10,790 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 2026-02-10T11:41:10,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:41:10,794 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 2026-02-10T11:41:10,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:10,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:10,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:10,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:10,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:10,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:10,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:10,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:10,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2026-02-10T11:41:10,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2026-02-10T11:41:10,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:41:10,813 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 2026-02-10T11:41:10,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:41:10,817 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 2026-02-10T11:41:10,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2026-02-10T11:41:10,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2026-02-10T11:41:10,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:41:10,825 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 2026-02-10T11:41:10,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2026-02-10T11:41:10,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2026-02-10T11:41:10,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:10,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:10,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:10,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:10,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:10,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:10,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2026-02-10T11:41:10,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2026-02-10T11:41:10,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:41:10,846 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 2026-02-10T11:41:10,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:10,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:10,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:10,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:10,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:10,858 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:10,861 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:10,862 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:10,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:10,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:10,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:10,869 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:10,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:10,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:10,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:10,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:10,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:10,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:10,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:10,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:10,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:10,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:10,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:10,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:10,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:10,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:10,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:10,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:10,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:10,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:10,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:10,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:10,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:10,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:10,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:10,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:10,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:10,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:10,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:10,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:10,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:10,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:10,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:10,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:10,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:10,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:10,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:10,935 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:10,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:10,939 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:10,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:10,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:10,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:10,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:10,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:10,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:10,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:10,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:10,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:10,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:10,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:10,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:10,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:10,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:10,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:10,968 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:10,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:10,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:10,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:10,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:10,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:10,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:10,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:10,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:10,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:10,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:10,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:10,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:10,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:10,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:10,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:10,994 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:10,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2026-02-10T11:41:10,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2026-02-10T11:41:11,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2026-02-10T11:41:11,001 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2026-02-10T11:41:11,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2026-02-10T11:41:11,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2026-02-10T11:41:11,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2026-02-10T11:41:11,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2026-02-10T11:41:11,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2026-02-10T11:41:11,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2026-02-10T11:41:11,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2026-02-10T11:41:11,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2026-02-10T11:41:11,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2026-02-10T11:41:11,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2026-02-10T11:41:11,022 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2026-02-10T11:41:11,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2026-02-10T11:41:11,026 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2026-02-10T11:41:11,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2026-02-10T11:41:11,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2026-02-10T11:41:11,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2026-02-10T11:41:11,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2026-02-10T11:41:11,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2026-02-10T11:41:11,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2026-02-10T11:41:11,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2026-02-10T11:41:11,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2026-02-10T11:41:11,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2026-02-10T11:41:11,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2026-02-10T11:41:11,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2026-02-10T11:41:11,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2026-02-10T11:41:11,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2026-02-10T11:41:11,056 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2026-02-10T11:41:11,057 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2026-02-10T11:41:11,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2026-02-10T11:41:11,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2026-02-10T11:41:11,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2026-02-10T11:41:11,066 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2026-02-10T11:41:11,069 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2026-02-10T11:41:11,070 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2026-02-10T11:41:11,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2026-02-10T11:41:11,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2026-02-10T11:41:11,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2026-02-10T11:41:11,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2026-02-10T11:41:11,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2026-02-10T11:41:11,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2026-02-10T11:41:11,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2026-02-10T11:41:11,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2026-02-10T11:41:11,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2026-02-10T11:41:11,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2026-02-10T11:41:11,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2026-02-10T11:41:11,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2026-02-10T11:41:11,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2026-02-10T11:41:11,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2026-02-10T11:41:11,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2026-02-10T11:41:11,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2026-02-10T11:41:11,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2026-02-10T11:41:11,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2026-02-10T11:41:11,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2026-02-10T11:41:11,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2026-02-10T11:41:11,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2026-02-10T11:41:11,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2026-02-10T11:41:11,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2026-02-10T11:41:11,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2026-02-10T11:41:11,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2026-02-10T11:41:11,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2026-02-10T11:41:11,133 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2026-02-10T11:41:11,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2026-02-10T11:41:11,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2026-02-10T11:41:11,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2026-02-10T11:41:11,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2026-02-10T11:41:11,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2026-02-10T11:41:11,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2026-02-10T11:41:11,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2026-02-10T11:41:11,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2026-02-10T11:41:11,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2026-02-10T11:41:11,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2026-02-10T11:41:11,161 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2026-02-10T11:41:11,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2026-02-10T11:41:11,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2026-02-10T11:41:11,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2026-02-10T11:41:11,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2026-02-10T11:41:11,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2026-02-10T11:41:11,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2026-02-10T11:41:11,188 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2026-02-10T11:41:11,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2026-02-10T11:41:11,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2026-02-10T11:41:11,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2026-02-10T11:41:11,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2026-02-10T11:41:11,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2026-02-10T11:41:11,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2026-02-10T11:41:11,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2026-02-10T11:41:11,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2026-02-10T11:41:11,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2026-02-10T11:41:11,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2026-02-10T11:41:11,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2026-02-10T11:41:11,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2026-02-10T11:41:11,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2026-02-10T11:41:11,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2026-02-10T11:41:11,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2026-02-10T11:41:11,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2026-02-10T11:41:11,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2026-02-10T11:41:11,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2026-02-10T11:41:11,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2026-02-10T11:41:11,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2026-02-10T11:41:11,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2026-02-10T11:41:11,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2026-02-10T11:41:11,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2026-02-10T11:41:11,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:11,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:11,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2026-02-10T11:41:11,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2026-02-10T11:41:11,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2026-02-10T11:41:11,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2026-02-10T11:41:11,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:11,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:11,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2026-02-10T11:41:11,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2026-02-10T11:41:11,318 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2026-02-10T11:41:11,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2026-02-10T11:41:11,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2026-02-10T11:41:11,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2026-02-10T11:41:11,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2026-02-10T11:41:11,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2026-02-10T11:41:11,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2026-02-10T11:41:11,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2026-02-10T11:41:11,338 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2026-02-10T11:41:11,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2026-02-10T11:41:11,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:11,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:11,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2026-02-10T11:41:11,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2026-02-10T11:41:11,351 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2026-02-10T11:41:11,352 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2026-02-10T11:41:11,354 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2026-02-10T11:41:11,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2026-02-10T11:41:11,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2026-02-10T11:41:11,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2026-02-10T11:41:11,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2026-02-10T11:41:11,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2026-02-10T11:41:11,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2026-02-10T11:41:11,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2026-02-10T11:41:11,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2026-02-10T11:41:11,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2026-02-10T11:41:11,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:11,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:11,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2026-02-10T11:41:11,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2026-02-10T11:41:11,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2026-02-10T11:41:11,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2026-02-10T11:41:11,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2026-02-10T11:41:11,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2026-02-10T11:41:11,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2026-02-10T11:41:11,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2026-02-10T11:41:11,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2026-02-10T11:41:11,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2026-02-10T11:41:11,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2026-02-10T11:41:11,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2026-02-10T11:41:11,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2026-02-10T11:41:11,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2026-02-10T11:41:11,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2026-02-10T11:41:11,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2026-02-10T11:41:11,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2026-02-10T11:41:11,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2026-02-10T11:41:11,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2026-02-10T11:41:11,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2026-02-10T11:41:11,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2026-02-10T11:41:11,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2026-02-10T11:41:11,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2026-02-10T11:41:11,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2026-02-10T11:41:11,416 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2026-02-10T11:41:11,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2026-02-10T11:41:11,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2026-02-10T11:41:11,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2026-02-10T11:41:11,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2026-02-10T11:41:11,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2026-02-10T11:41:11,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2026-02-10T11:41:11,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2026-02-10T11:41:11,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2026-02-10T11:41:11,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2026-02-10T11:41:11,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2026-02-10T11:41:11,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2026-02-10T11:41:11,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2026-02-10T11:41:11,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2026-02-10T11:41:11,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2026-02-10T11:41:11,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2026-02-10T11:41:11,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2026-02-10T11:41:11,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2026-02-10T11:41:11,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2026-02-10T11:41:11,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2026-02-10T11:41:11,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2026-02-10T11:41:11,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2026-02-10T11:41:11,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2026-02-10T11:41:11,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2026-02-10T11:41:11,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2026-02-10T11:41:11,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2026-02-10T11:41:11,464 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2026-02-10T11:41:11,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2026-02-10T11:41:11,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2026-02-10T11:41:11,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2026-02-10T11:41:11,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2026-02-10T11:41:11,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2026-02-10T11:41:11,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2026-02-10T11:41:11,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2026-02-10T11:41:11,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2026-02-10T11:41:11,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2026-02-10T11:41:11,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2026-02-10T11:41:11,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2026-02-10T11:41:11,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2026-02-10T11:41:11,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2026-02-10T11:41:11,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2026-02-10T11:41:11,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2026-02-10T11:41:11,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2026-02-10T11:41:11,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2026-02-10T11:41:11,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2026-02-10T11:41:11,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2026-02-10T11:41:11,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2026-02-10T11:41:11,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2026-02-10T11:41:11,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2026-02-10T11:41:11,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2026-02-10T11:41:11,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2026-02-10T11:41:11,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2026-02-10T11:41:11,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2026-02-10T11:41:11,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2026-02-10T11:41:11,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2026-02-10T11:41:11,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2026-02-10T11:41:11,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2026-02-10T11:41:11,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2026-02-10T11:41:11,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2026-02-10T11:41:11,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2026-02-10T11:41:11,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2026-02-10T11:41:11,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2026-02-10T11:41:11,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2026-02-10T11:41:11,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2026-02-10T11:41:11,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2026-02-10T11:41:11,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2026-02-10T11:41:11,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2026-02-10T11:41:11,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2026-02-10T11:41:11,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2026-02-10T11:41:11,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2026-02-10T11:41:11,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2026-02-10T11:41:11,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2026-02-10T11:41:11,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2026-02-10T11:41:11,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2026-02-10T11:41:11,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2026-02-10T11:41:11,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2026-02-10T11:41:11,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2026-02-10T11:41:11,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2026-02-10T11:41:11,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2026-02-10T11:41:11,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2026-02-10T11:41:11,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2026-02-10T11:41:11,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2026-02-10T11:41:11,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2026-02-10T11:41:11,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2026-02-10T11:41:11,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2026-02-10T11:41:11,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2026-02-10T11:41:11,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2026-02-10T11:41:11,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2026-02-10T11:41:11,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2026-02-10T11:41:11,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2026-02-10T11:41:11,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2026-02-10T11:41:11,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2026-02-10T11:41:11,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2026-02-10T11:41:11,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2026-02-10T11:41:11,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2026-02-10T11:41:11,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2026-02-10T11:41:11,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2026-02-10T11:41:11,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2026-02-10T11:41:11,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2026-02-10T11:41:11,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2026-02-10T11:41:11,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2026-02-10T11:41:11,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2026-02-10T11:41:11,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2026-02-10T11:41:11,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2026-02-10T11:41:11,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2026-02-10T11:41:11,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2026-02-10T11:41:11,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2026-02-10T11:41:11,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2026-02-10T11:41:11,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2026-02-10T11:41:11,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2026-02-10T11:41:11,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2026-02-10T11:41:11,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2026-02-10T11:41:11,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2026-02-10T11:41:11,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2026-02-10T11:41:11,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2026-02-10T11:41:11,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2026-02-10T11:41:11,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2026-02-10T11:41:11,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2026-02-10T11:41:11,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2026-02-10T11:41:11,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2026-02-10T11:41:11,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2026-02-10T11:41:11,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2026-02-10T11:41:11,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2026-02-10T11:41:11,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2026-02-10T11:41:11,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2026-02-10T11:41:11,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2026-02-10T11:41:11,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2026-02-10T11:41:11,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2026-02-10T11:41:11,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2026-02-10T11:41:11,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2026-02-10T11:41:11,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2026-02-10T11:41:11,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2026-02-10T11:41:11,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2026-02-10T11:41:11,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2026-02-10T11:41:11,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2026-02-10T11:41:11,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2026-02-10T11:41:11,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2026-02-10T11:41:11,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2026-02-10T11:41:11,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2026-02-10T11:41:11,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2026-02-10T11:41:11,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2026-02-10T11:41:11,697 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2026-02-10T11:41:11,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2026-02-10T11:41:11,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2026-02-10T11:41:11,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2026-02-10T11:41:11,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2026-02-10T11:41:11,707 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2026-02-10T11:41:11,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2026-02-10T11:41:11,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2026-02-10T11:41:11,712 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2026-02-10T11:41:11,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2026-02-10T11:41:11,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2026-02-10T11:41:11,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2026-02-10T11:41:11,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2026-02-10T11:41:11,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2026-02-10T11:41:11,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2026-02-10T11:41:11,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2026-02-10T11:41:11,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2026-02-10T11:41:11,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2026-02-10T11:41:11,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2026-02-10T11:41:11,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2026-02-10T11:41:11,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2026-02-10T11:41:11,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2026-02-10T11:41:11,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2026-02-10T11:41:11,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2026-02-10T11:41:11,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2026-02-10T11:41:11,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2026-02-10T11:41:11,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2026-02-10T11:41:11,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2026-02-10T11:41:11,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2026-02-10T11:41:11,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2026-02-10T11:41:11,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2026-02-10T11:41:11,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2026-02-10T11:41:11,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2026-02-10T11:41:11,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2026-02-10T11:41:11,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2026-02-10T11:41:11,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2026-02-10T11:41:11,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2026-02-10T11:41:11,768 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2026-02-10T11:41:11,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2026-02-10T11:41:11,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2026-02-10T11:41:11,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2026-02-10T11:41:11,776 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2026-02-10T11:41:11,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2026-02-10T11:41:11,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2026-02-10T11:41:11,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2026-02-10T11:41:11,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2026-02-10T11:41:11,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2026-02-10T11:41:11,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2026-02-10T11:41:11,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2026-02-10T11:41:11,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2026-02-10T11:41:11,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2026-02-10T11:41:11,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2026-02-10T11:41:11,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2026-02-10T11:41:11,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2026-02-10T11:41:11,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2026-02-10T11:41:11,802 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2026-02-10T11:41:11,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2026-02-10T11:41:11,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2026-02-10T11:41:11,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2026-02-10T11:41:11,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2026-02-10T11:41:11,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2026-02-10T11:41:11,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2026-02-10T11:41:11,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2026-02-10T11:41:11,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2026-02-10T11:41:11,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2026-02-10T11:41:11,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2026-02-10T11:41:11,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2026-02-10T11:41:11,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2026-02-10T11:41:11,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2026-02-10T11:41:11,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2026-02-10T11:41:11,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2026-02-10T11:41:11,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2026-02-10T11:41:11,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2026-02-10T11:41:11,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2026-02-10T11:41:11,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2026-02-10T11:41:11,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2026-02-10T11:41:11,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2026-02-10T11:41:11,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2026-02-10T11:41:11,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2026-02-10T11:41:11,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2026-02-10T11:41:11,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2026-02-10T11:41:11,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2026-02-10T11:41:11,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2026-02-10T11:41:11,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2026-02-10T11:41:11,852 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2026-02-10T11:41:11,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2026-02-10T11:41:11,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2026-02-10T11:41:11,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2026-02-10T11:41:11,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2026-02-10T11:41:11,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2026-02-10T11:41:11,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2026-02-10T11:41:11,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2026-02-10T11:41:11,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2026-02-10T11:41:11,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2026-02-10T11:41:11,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2026-02-10T11:41:11,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2026-02-10T11:41:11,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2026-02-10T11:41:11,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2026-02-10T11:41:11,889 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2026-02-10T11:41:11,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2026-02-10T11:41:11,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2026-02-10T11:41:11,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2026-02-10T11:41:11,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2026-02-10T11:41:11,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2026-02-10T11:41:11,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2026-02-10T11:41:11,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2026-02-10T11:41:11,921 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2026-02-10T11:41:11,927 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2026-02-10T11:41:11,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2026-02-10T11:41:11,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2026-02-10T11:41:11,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2026-02-10T11:41:11,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2026-02-10T11:41:11,942 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2026-02-10T11:41:11,947 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2026-02-10T11:41:11,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2026-02-10T11:41:11,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2026-02-10T11:41:11,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2026-02-10T11:41:11,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2026-02-10T11:41:11,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2026-02-10T11:41:11,970 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2026-02-10T11:41:11,972 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2026-02-10T11:41:11,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2026-02-10T11:41:11,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2026-02-10T11:41:11,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2026-02-10T11:41:11,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2026-02-10T11:41:11,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2026-02-10T11:41:11,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2026-02-10T11:41:11,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2026-02-10T11:41:11,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2026-02-10T11:41:11,996 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2026-02-10T11:41:11,998 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2026-02-10T11:41:12,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2026-02-10T11:41:12,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2026-02-10T11:41:12,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2026-02-10T11:41:12,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2026-02-10T11:41:12,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2026-02-10T11:41:12,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2026-02-10T11:41:12,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2026-02-10T11:41:12,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2026-02-10T11:41:12,018 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2026-02-10T11:41:12,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2026-02-10T11:41:12,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2026-02-10T11:41:12,023 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2026-02-10T11:41:12,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2026-02-10T11:41:12,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2026-02-10T11:41:12,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2026-02-10T11:41:12,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2026-02-10T11:41:12,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2026-02-10T11:41:12,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2026-02-10T11:41:12,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2026-02-10T11:41:12,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2026-02-10T11:41:12,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2026-02-10T11:41:12,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2026-02-10T11:41:12,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2026-02-10T11:41:12,049 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2026-02-10T11:41:12,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2026-02-10T11:41:12,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2026-02-10T11:41:12,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2026-02-10T11:41:12,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2026-02-10T11:41:12,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2026-02-10T11:41:12,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2026-02-10T11:41:12,073 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2026-02-10T11:41:12,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2026-02-10T11:41:12,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2026-02-10T11:41:12,080 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2026-02-10T11:41:12,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2026-02-10T11:41:12,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2026-02-10T11:41:12,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2026-02-10T11:41:12,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2026-02-10T11:41:12,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2026-02-10T11:41:12,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2026-02-10T11:41:12,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2026-02-10T11:41:12,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2026-02-10T11:41:12,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2026-02-10T11:41:12,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2026-02-10T11:41:12,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2026-02-10T11:41:12,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2026-02-10T11:41:12,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2026-02-10T11:41:12,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2026-02-10T11:41:12,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2026-02-10T11:41:12,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2026-02-10T11:41:12,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2026-02-10T11:41:12,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2026-02-10T11:41:12,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2026-02-10T11:41:12,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2026-02-10T11:41:12,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2026-02-10T11:41:12,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2026-02-10T11:41:12,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2026-02-10T11:41:12,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2026-02-10T11:41:12,154 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2026-02-10T11:41:12,155 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2026-02-10T11:41:12,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2026-02-10T11:41:12,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2026-02-10T11:41:12,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2026-02-10T11:41:12,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2026-02-10T11:41:12,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2026-02-10T11:41:12,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2026-02-10T11:41:12,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2026-02-10T11:41:12,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2026-02-10T11:41:12,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2026-02-10T11:41:12,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2026-02-10T11:41:12,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2026-02-10T11:41:12,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2026-02-10T11:41:12,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2026-02-10T11:41:12,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2026-02-10T11:41:12,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2026-02-10T11:41:12,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2026-02-10T11:41:12,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2026-02-10T11:41:12,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2026-02-10T11:41:12,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2026-02-10T11:41:12,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2026-02-10T11:41:12,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2026-02-10T11:41:12,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2026-02-10T11:41:12,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2026-02-10T11:41:12,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2026-02-10T11:41:12,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2026-02-10T11:41:12,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2026-02-10T11:41:12,212 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2026-02-10T11:41:12,213 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2026-02-10T11:41:12,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2026-02-10T11:41:12,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2026-02-10T11:41:12,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2026-02-10T11:41:12,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2026-02-10T11:41:12,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2026-02-10T11:41:12,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2026-02-10T11:41:12,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2026-02-10T11:41:12,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2026-02-10T11:41:12,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2026-02-10T11:41:12,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2026-02-10T11:41:12,235 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2026-02-10T11:41:12,236 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2026-02-10T11:41:12,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2026-02-10T11:41:12,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2026-02-10T11:41:12,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2026-02-10T11:41:12,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2026-02-10T11:41:12,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2026-02-10T11:41:12,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2026-02-10T11:41:12,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2026-02-10T11:41:12,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2026-02-10T11:41:12,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2026-02-10T11:41:12,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2026-02-10T11:41:12,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2026-02-10T11:41:12,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2026-02-10T11:41:12,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2026-02-10T11:41:12,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2026-02-10T11:41:12,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2026-02-10T11:41:12,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2026-02-10T11:41:12,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2026-02-10T11:41:12,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2026-02-10T11:41:12,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2026-02-10T11:41:12,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2026-02-10T11:41:12,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2026-02-10T11:41:12,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2026-02-10T11:41:12,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2026-02-10T11:41:12,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2026-02-10T11:41:12,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2026-02-10T11:41:12,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2026-02-10T11:41:12,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:41:12,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:41:12,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2026-02-10T11:41:12,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2026-02-10T11:41:12,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2026-02-10T11:41:12,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2026-02-10T11:41:12,296 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2026-02-10T11:41:12,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2026-02-10T11:41:12,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:41:12,300 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 2026-02-10T11:41:12,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2026-02-10T11:41:12,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2026-02-10T11:41:12,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:41:12,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:41:12,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:41:12,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:41:12,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2026-02-10T11:41:12,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2026-02-10T11:41:12,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2026-02-10T11:41:12,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2026-02-10T11:41:12,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:41:12,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:41:12,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:41:12,326 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:41:12,328 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:41:12,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:41:12,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:41:12,332 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:41:12,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2026-02-10T11:41:12,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2026-02-10T11:41:12,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2026-02-10T11:41:12,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2026-02-10T11:41:12,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2026-02-10T11:41:12,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2026-02-10T11:41:12,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2026-02-10T11:41:12,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2026-02-10T11:41:12,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2026-02-10T11:41:12,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2026-02-10T11:41:12,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:41:12,351 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 2026-02-10T11:41:12,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2026-02-10T11:41:12,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2026-02-10T11:41:12,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:41:12,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:41:12,359 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:41:12,360 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 2026-02-10T11:41:12,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:41:12,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:41:12,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2026-02-10T11:41:12,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2026-02-10T11:41:12,369 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:41:12,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:41:12,372 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:41:12,373 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:41:12,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:41:12,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:41:12,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2026-02-10T11:41:12,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2026-02-10T11:41:12,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:41:12,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:41:12,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:41:12,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:41:12,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:41:12,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:41:12,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2026-02-10T11:41:12,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2026-02-10T11:41:12,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:41:12,397 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:41:12,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2026-02-10T11:41:12,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2026-02-10T11:41:12,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:41:12,403 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 2026-02-10T11:41:12,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2026-02-10T11:41:12,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2026-02-10T11:41:12,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:41:12,409 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 2026-02-10T11:41:12,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:41:12,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:41:12,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2026-02-10T11:41:12,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2026-02-10T11:41:12,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:41:12,419 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 2026-02-10T11:41:12,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2026-02-10T11:41:12,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2026-02-10T11:41:12,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:41:12,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:41:12,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:41:12,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:41:12,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:41:12,434 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:41:12,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:41:12,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:41:12,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:41:12,441 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 2026-02-10T11:41:12,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2026-02-10T11:41:12,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2026-02-10T11:41:12,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:41:12,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:41:12,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2026-02-10T11:41:12,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2026-02-10T11:41:12,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2026-02-10T11:41:12,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2026-02-10T11:41:12,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2026-02-10T11:41:12,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2026-02-10T11:41:12,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:41:12,462 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 2026-02-10T11:41:12,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2026-02-10T11:41:12,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2026-02-10T11:41:12,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2026-02-10T11:41:12,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2026-02-10T11:41:12,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2026-02-10T11:41:12,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2026-02-10T11:41:12,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:41:12,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:41:12,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2026-02-10T11:41:12,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2026-02-10T11:41:12,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:41:12,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:41:12,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:41:12,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:41:12,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2026-02-10T11:41:12,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2026-02-10T11:41:12,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:41:12,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:41:12,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:41:12,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:41:12,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:41:12,517 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:41:12,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:41:12,521 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 2026-02-10T11:41:12,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2026-02-10T11:41:12,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2026-02-10T11:41:12,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:41:12,531 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 2026-02-10T11:41:12,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2026-02-10T11:41:12,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2026-02-10T11:41:12,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2026-02-10T11:41:12,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2026-02-10T11:41:12,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2026-02-10T11:41:12,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2026-02-10T11:41:12,553 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:41:12,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:41:12,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:12,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:41:12,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2026-02-10T11:41:12,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2026-02-10T11:41:12,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2026-02-10T11:41:12,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2026-02-10T11:41:12,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2026-02-10T11:41:12,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2026-02-10T11:41:12,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2026-02-10T11:41:12,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2026-02-10T11:41:12,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2026-02-10T11:41:12,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2026-02-10T11:41:12,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:41:12,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:41:12,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:41:12,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:41:12,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:41:12,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:41:12,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:41:12,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:41:12,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2026-02-10T11:41:12,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2026-02-10T11:41:12,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:41:12,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:41:12,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2026-02-10T11:41:12,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2026-02-10T11:41:12,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:41:12,624 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 2026-02-10T11:41:12,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:12,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2026-02-10T11:41:12,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:12,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2026-02-10T11:41:12,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2026-02-10T11:41:12,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2026-02-10T11:41:12,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:12,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2026-02-10T11:41:12,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:12,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2026-02-10T11:41:12,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:12,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2026-02-10T11:41:12,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:12,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:41:12,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:12,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2026-02-10T11:41:12,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2026-02-10T11:41:12,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2026-02-10T11:41:12,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:12,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2026-02-10T11:41:12,666 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:12,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:41:12,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:12,685 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2026-02-10T11:41:12,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:12,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2026-02-10T11:41:12,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:12,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2026-02-10T11:41:12,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:12,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2026-02-10T11:41:12,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2026-02-10T11:41:12,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2026-02-10T11:41:12,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:12,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:41:12,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:12,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2026-02-10T11:41:12,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:12,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2026-02-10T11:41:12,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:12,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:41:12,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:12,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2026-02-10T11:41:12,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:12,721 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2026-02-10T11:41:12,724 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:12,725 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:41:12,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:12,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2026-02-10T11:41:12,732 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:12,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2026-02-10T11:41:12,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2026-02-10T11:41:12,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2026-02-10T11:41:12,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:12,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:41:12,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2026-02-10T11:41:12,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2026-02-10T11:41:12,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:12,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2026-02-10T11:41:12,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:12,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2026-02-10T11:41:12,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:12,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2026-02-10T11:41:12,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:12,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:41:12,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2026-02-10T11:41:12,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2026-02-10T11:41:12,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:12,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2026-02-10T11:41:12,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:12,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2026-02-10T11:41:12,772 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:12,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2026-02-10T11:41:12,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:12,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:41:12,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:12,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2026-02-10T11:41:12,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2026-02-10T11:41:12,783 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2026-02-10T11:41:12,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:12,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2026-02-10T11:41:12,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:12,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2026-02-10T11:41:12,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:12,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2026-02-10T11:41:12,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:12,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2026-02-10T11:41:12,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:12,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:41:12,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:12,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2026-02-10T11:41:12,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2026-02-10T11:41:12,809 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2026-02-10T11:41:12,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:12,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2026-02-10T11:41:12,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:12,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:41:12,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:12,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2026-02-10T11:41:12,822 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:12,823 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:41:12,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:12,827 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:41:12,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2026-02-10T11:41:12,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2026-02-10T11:41:12,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:12,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2026-02-10T11:41:12,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:12,838 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2026-02-10T11:41:12,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:12,842 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2026-02-10T11:41:12,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:12,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2026-02-10T11:41:12,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:12,850 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2026-02-10T11:41:12,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:12,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2026-02-10T11:41:12,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2026-02-10T11:41:12,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2026-02-10T11:41:12,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:12,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2026-02-10T11:41:12,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:12,865 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2026-02-10T11:41:12,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:12,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:41:12,871 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:12,873 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2026-02-10T11:41:12,875 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:12,876 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2026-02-10T11:41:12,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:12,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:41:12,884 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2026-02-10T11:41:12,885 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2026-02-10T11:41:12,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:12,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2026-02-10T11:41:12,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:12,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2026-02-10T11:41:12,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:12,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:41:12,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:12,902 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2026-02-10T11:41:12,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2026-02-10T11:41:12,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2026-02-10T11:41:12,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:12,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2026-02-10T11:41:12,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2026-02-10T11:41:12,915 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2026-02-10T11:41:12,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2026-02-10T11:41:12,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2026-02-10T11:41:12,923 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:12,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:41:12,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:12,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:41:12,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:12,938 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:41:12,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:12,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2026-02-10T11:41:12,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:12,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:41:12,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:12,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2026-02-10T11:41:12,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:12,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2026-02-10T11:41:12,963 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:12,964 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:41:12,967 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:12,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2026-02-10T11:41:12,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2026-02-10T11:41:12,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2026-02-10T11:41:12,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:12,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:41:12,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:12,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2026-02-10T11:41:12,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2026-02-10T11:41:12,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2026-02-10T11:41:12,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2026-02-10T11:41:12,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2026-02-10T11:41:12,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2026-02-10T11:41:12,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2026-02-10T11:41:12,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2026-02-10T11:41:12,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2026-02-10T11:41:13,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2026-02-10T11:41:13,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2026-02-10T11:41:13,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2026-02-10T11:41:13,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2026-02-10T11:41:13,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2026-02-10T11:41:13,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2026-02-10T11:41:13,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2026-02-10T11:41:13,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2026-02-10T11:41:13,020 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2026-02-10T11:41:13,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2026-02-10T11:41:13,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2026-02-10T11:41:13,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2026-02-10T11:41:13,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2026-02-10T11:41:13,031 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2026-02-10T11:41:13,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2026-02-10T11:41:13,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2026-02-10T11:41:13,038 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2026-02-10T11:41:13,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2026-02-10T11:41:13,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2026-02-10T11:41:13,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2026-02-10T11:41:13,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2026-02-10T11:41:13,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2026-02-10T11:41:13,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2026-02-10T11:41:13,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2026-02-10T11:41:13,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2026-02-10T11:41:13,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2026-02-10T11:41:13,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2026-02-10T11:41:13,063 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2026-02-10T11:41:13,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2026-02-10T11:41:13,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2026-02-10T11:41:13,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2026-02-10T11:41:13,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2026-02-10T11:41:13,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2026-02-10T11:41:13,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2026-02-10T11:41:13,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2026-02-10T11:41:13,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2026-02-10T11:41:13,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2026-02-10T11:41:13,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2026-02-10T11:41:13,084 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2026-02-10T11:41:13,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2026-02-10T11:41:13,087 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2026-02-10T11:41:13,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2026-02-10T11:41:13,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2026-02-10T11:41:13,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2026-02-10T11:41:13,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2026-02-10T11:41:13,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2026-02-10T11:41:13,098 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2026-02-10T11:41:13,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2026-02-10T11:41:13,102 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2026-02-10T11:41:13,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2026-02-10T11:41:13,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2026-02-10T11:41:13,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2026-02-10T11:41:13,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2026-02-10T11:41:13,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2026-02-10T11:41:13,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2026-02-10T11:41:13,112 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2026-02-10T11:41:13,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2026-02-10T11:41:13,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2026-02-10T11:41:13,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2026-02-10T11:41:13,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2026-02-10T11:41:13,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2026-02-10T11:41:13,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2026-02-10T11:41:13,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2026-02-10T11:41:13,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2026-02-10T11:41:13,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2026-02-10T11:41:13,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2026-02-10T11:41:13,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2026-02-10T11:41:13,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2026-02-10T11:41:13,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2026-02-10T11:41:13,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2026-02-10T11:41:13,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2026-02-10T11:41:13,136 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2026-02-10T11:41:13,139 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2026-02-10T11:41:13,140 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2026-02-10T11:41:13,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2026-02-10T11:41:13,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2026-02-10T11:41:13,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2026-02-10T11:41:13,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2026-02-10T11:41:13,150 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2026-02-10T11:41:13,151 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2026-02-10T11:41:13,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2026-02-10T11:41:13,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2026-02-10T11:41:13,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2026-02-10T11:41:13,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2026-02-10T11:41:13,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2026-02-10T11:41:13,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2026-02-10T11:41:13,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2026-02-10T11:41:13,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2026-02-10T11:41:13,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2026-02-10T11:41:13,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2026-02-10T11:41:13,171 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2026-02-10T11:41:13,172 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2026-02-10T11:41:13,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2026-02-10T11:41:13,176 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2026-02-10T11:41:13,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2026-02-10T11:41:13,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2026-02-10T11:41:13,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2026-02-10T11:41:13,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2026-02-10T11:41:13,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2026-02-10T11:41:13,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2026-02-10T11:41:13,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2026-02-10T11:41:13,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2026-02-10T11:41:13,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2026-02-10T11:41:13,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2026-02-10T11:41:13,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2026-02-10T11:41:13,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2026-02-10T11:41:13,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2026-02-10T11:41:13,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2026-02-10T11:41:13,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2026-02-10T11:41:13,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2026-02-10T11:41:13,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2026-02-10T11:41:13,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2026-02-10T11:41:13,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2026-02-10T11:41:13,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2026-02-10T11:41:13,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2026-02-10T11:41:13,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2026-02-10T11:41:13,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2026-02-10T11:41:13,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2026-02-10T11:41:13,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2026-02-10T11:41:13,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2026-02-10T11:41:13,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2026-02-10T11:41:13,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2026-02-10T11:41:13,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2026-02-10T11:41:13,228 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2026-02-10T11:41:13,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2026-02-10T11:41:13,231 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2026-02-10T11:41:13,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2026-02-10T11:41:13,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2026-02-10T11:41:13,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2026-02-10T11:41:13,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2026-02-10T11:41:13,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2026-02-10T11:41:13,244 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2026-02-10T11:41:13,246 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2026-02-10T11:41:13,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2026-02-10T11:41:13,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:13,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:41:13,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:13,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2026-02-10T11:41:13,256 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2026-02-10T11:41:13,257 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2026-02-10T11:41:13,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2026-02-10T11:41:13,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2026-02-10T11:41:13,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2026-02-10T11:41:13,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2026-02-10T11:41:13,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:13,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:41:13,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:13,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2026-02-10T11:41:13,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2026-02-10T11:41:13,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2026-02-10T11:41:13,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2026-02-10T11:41:13,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2026-02-10T11:41:13,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2026-02-10T11:41:13,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2026-02-10T11:41:13,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2026-02-10T11:41:13,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2026-02-10T11:41:13,289 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:13,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:41:13,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2026-02-10T11:41:13,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2026-02-10T11:41:13,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:13,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2026-02-10T11:41:13,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2026-02-10T11:41:13,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2026-02-10T11:41:13,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:13,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2026-02-10T11:41:13,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2026-02-10T11:41:13,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2026-02-10T11:41:13,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2026-02-10T11:41:13,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2026-02-10T11:41:13,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:13,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2026-02-10T11:41:13,314 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2026-02-10T11:41:13,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2026-02-10T11:41:13,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:13,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2026-02-10T11:41:13,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:13,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2026-02-10T11:41:13,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:13,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2026-02-10T11:41:13,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2026-02-10T11:41:13,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2026-02-10T11:41:13,333 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2026-02-10T11:41:13,334 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2026-02-10T11:41:13,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2026-02-10T11:41:13,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2026-02-10T11:41:13,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2026-02-10T11:41:13,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2026-02-10T11:41:13,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:13,344 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2026-02-10T11:41:13,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2026-02-10T11:41:13,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2026-02-10T11:41:13,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2026-02-10T11:41:13,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2026-02-10T11:41:13,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2026-02-10T11:41:13,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2026-02-10T11:41:13,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2026-02-10T11:41:13,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2026-02-10T11:41:13,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2026-02-10T11:41:13,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2026-02-10T11:41:13,364 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2026-02-10T11:41:13,365 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2026-02-10T11:41:13,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2026-02-10T11:41:13,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2026-02-10T11:41:13,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2026-02-10T11:41:13,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2026-02-10T11:41:13,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2026-02-10T11:41:13,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2026-02-10T11:41:13,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2026-02-10T11:41:13,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2026-02-10T11:41:13,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2026-02-10T11:41:13,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2026-02-10T11:41:13,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2026-02-10T11:41:13,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2026-02-10T11:41:13,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2026-02-10T11:41:13,390 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2026-02-10T11:41:13,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2026-02-10T11:41:13,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2026-02-10T11:41:13,395 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2026-02-10T11:41:13,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2026-02-10T11:41:13,399 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2026-02-10T11:41:13,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2026-02-10T11:41:13,403 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2026-02-10T11:41:13,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2026-02-10T11:41:13,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2026-02-10T11:41:13,408 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2026-02-10T11:41:13,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2026-02-10T11:41:13,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2026-02-10T11:41:13,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2026-02-10T11:41:13,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2026-02-10T11:41:13,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2026-02-10T11:41:13,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2026-02-10T11:41:13,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2026-02-10T11:41:13,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2026-02-10T11:41:13,424 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2026-02-10T11:41:13,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2026-02-10T11:41:13,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2026-02-10T11:41:13,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2026-02-10T11:41:13,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2026-02-10T11:41:13,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2026-02-10T11:41:13,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2026-02-10T11:41:13,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2026-02-10T11:41:13,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2026-02-10T11:41:13,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2026-02-10T11:41:13,439 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2026-02-10T11:41:13,440 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2026-02-10T11:41:13,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2026-02-10T11:41:13,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2026-02-10T11:41:13,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2026-02-10T11:41:13,448 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2026-02-10T11:41:13,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2026-02-10T11:41:13,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2026-02-10T11:41:13,454 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2026-02-10T11:41:13,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2026-02-10T11:41:13,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2026-02-10T11:41:13,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2026-02-10T11:41:13,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2026-02-10T11:41:13,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2026-02-10T11:41:13,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2026-02-10T11:41:13,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2026-02-10T11:41:13,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2026-02-10T11:41:13,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2026-02-10T11:41:13,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2026-02-10T11:41:13,474 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2026-02-10T11:41:13,476 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:13,477 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:41:13,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:13,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2026-02-10T11:41:13,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:13,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:41:13,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:13,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2026-02-10T11:41:13,491 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:13,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:41:13,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:13,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2026-02-10T11:41:13,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:13,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:41:13,501 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:13,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:41:13,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:13,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:41:13,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:13,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:41:13,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:13,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:41:13,516 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:13,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:41:13,520 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:13,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2026-02-10T11:41:13,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:13,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:41:13,527 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:13,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:41:13,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:13,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:41:13,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:13,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2026-02-10T11:41:13,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:13,538 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:41:13,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:13,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2026-02-10T11:41:13,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:13,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2026-02-10T11:41:13,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:13,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2026-02-10T11:41:13,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:13,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2026-02-10T11:41:13,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:13,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2026-02-10T11:41:13,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:13,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:41:13,562 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:13,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:41:13,565 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:13,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:41:13,569 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:13,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2026-02-10T11:41:13,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:13,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:41:13,576 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:13,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:41:13,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2026-02-10T11:41:13,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2026-02-10T11:41:13,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2026-02-10T11:41:13,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2026-02-10T11:41:13,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2026-02-10T11:41:13,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2026-02-10T11:41:13,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2026-02-10T11:41:13,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2026-02-10T11:41:13,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2026-02-10T11:41:13,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2026-02-10T11:41:13,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2026-02-10T11:41:13,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2026-02-10T11:41:13,601 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2026-02-10T11:41:13,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2026-02-10T11:41:13,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2026-02-10T11:41:13,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2026-02-10T11:41:13,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2026-02-10T11:41:13,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2026-02-10T11:41:13,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:13,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2026-02-10T11:41:13,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2026-02-10T11:41:13,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2026-02-10T11:41:13,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2026-02-10T11:41:13,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2026-02-10T11:41:13,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2026-02-10T11:41:13,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2026-02-10T11:41:13,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2026-02-10T11:41:13,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2026-02-10T11:41:13,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2026-02-10T11:41:13,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2026-02-10T11:41:13,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2026-02-10T11:41:13,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2026-02-10T11:41:13,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2026-02-10T11:41:13,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2026-02-10T11:41:13,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2026-02-10T11:41:13,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2026-02-10T11:41:13,647 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2026-02-10T11:41:13,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2026-02-10T11:41:13,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2026-02-10T11:41:13,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2026-02-10T11:41:13,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2026-02-10T11:41:13,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2026-02-10T11:41:13,658 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:13,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2026-02-10T11:41:13,662 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2026-02-10T11:41:13,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2026-02-10T11:41:13,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2026-02-10T11:41:13,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2026-02-10T11:41:13,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2026-02-10T11:41:13,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2026-02-10T11:41:13,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2026-02-10T11:41:13,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2026-02-10T11:41:13,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2026-02-10T11:41:13,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2026-02-10T11:41:13,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2026-02-10T11:41:13,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2026-02-10T11:41:13,691 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2026-02-10T11:41:13,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2026-02-10T11:41:13,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2026-02-10T11:41:13,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2026-02-10T11:41:13,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2026-02-10T11:41:13,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2026-02-10T11:41:13,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2026-02-10T11:41:13,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2026-02-10T11:41:13,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2026-02-10T11:41:13,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2026-02-10T11:41:13,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2026-02-10T11:41:13,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2026-02-10T11:41:13,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2026-02-10T11:41:13,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2026-02-10T11:41:13,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2026-02-10T11:41:13,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2026-02-10T11:41:13,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2026-02-10T11:41:13,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2026-02-10T11:41:13,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2026-02-10T11:41:13,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2026-02-10T11:41:13,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2026-02-10T11:41:13,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2026-02-10T11:41:13,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2026-02-10T11:41:13,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2026-02-10T11:41:13,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2026-02-10T11:41:13,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2026-02-10T11:41:13,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2026-02-10T11:41:13,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2026-02-10T11:41:13,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2026-02-10T11:41:13,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2026-02-10T11:41:13,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2026-02-10T11:41:13,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2026-02-10T11:41:13,759 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2026-02-10T11:41:13,760 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2026-02-10T11:41:13,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2026-02-10T11:41:13,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2026-02-10T11:41:13,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2026-02-10T11:41:13,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2026-02-10T11:41:13,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2026-02-10T11:41:13,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2026-02-10T11:41:13,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2026-02-10T11:41:13,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2026-02-10T11:41:13,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2026-02-10T11:41:13,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2026-02-10T11:41:13,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2026-02-10T11:41:13,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2026-02-10T11:41:13,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2026-02-10T11:41:13,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2026-02-10T11:41:13,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2026-02-10T11:41:13,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2026-02-10T11:41:13,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2026-02-10T11:41:13,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2026-02-10T11:41:13,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2026-02-10T11:41:13,807 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2026-02-10T11:41:13,811 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2026-02-10T11:41:13,812 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2026-02-10T11:41:13,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2026-02-10T11:41:13,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2026-02-10T11:41:13,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2026-02-10T11:41:13,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2026-02-10T11:41:13,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2026-02-10T11:41:13,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2026-02-10T11:41:13,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2026-02-10T11:41:13,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2026-02-10T11:41:13,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2026-02-10T11:41:13,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2026-02-10T11:41:13,836 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2026-02-10T11:41:13,837 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2026-02-10T11:41:13,840 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2026-02-10T11:41:13,841 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2026-02-10T11:41:13,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2026-02-10T11:41:13,846 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2026-02-10T11:41:13,849 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2026-02-10T11:41:13,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2026-02-10T11:41:13,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2026-02-10T11:41:13,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2026-02-10T11:41:13,858 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2026-02-10T11:41:13,859 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2026-02-10T11:41:13,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2026-02-10T11:41:13,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2026-02-10T11:41:13,866 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2026-02-10T11:41:13,867 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2026-02-10T11:41:13,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2026-02-10T11:41:13,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2026-02-10T11:41:13,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2026-02-10T11:41:13,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2026-02-10T11:41:13,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2026-02-10T11:41:13,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2026-02-10T11:41:13,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2026-02-10T11:41:13,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2026-02-10T11:41:13,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2026-02-10T11:41:13,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2026-02-10T11:41:13,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2026-02-10T11:41:13,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2026-02-10T11:41:13,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2026-02-10T11:41:13,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2026-02-10T11:41:13,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2026-02-10T11:41:13,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2026-02-10T11:41:13,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2026-02-10T11:41:13,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2026-02-10T11:41:13,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2026-02-10T11:41:13,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2026-02-10T11:41:13,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2026-02-10T11:41:13,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2026-02-10T11:41:13,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2026-02-10T11:41:13,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2026-02-10T11:41:13,911 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2026-02-10T11:41:13,912 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2026-02-10T11:41:13,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2026-02-10T11:41:13,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2026-02-10T11:41:13,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2026-02-10T11:41:13,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2026-02-10T11:41:13,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2026-02-10T11:41:13,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2026-02-10T11:41:13,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2026-02-10T11:41:13,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2026-02-10T11:41:13,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2026-02-10T11:41:13,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2026-02-10T11:41:13,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2026-02-10T11:41:13,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2026-02-10T11:41:13,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2026-02-10T11:41:13,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2026-02-10T11:41:13,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2026-02-10T11:41:13,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2026-02-10T11:41:13,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2026-02-10T11:41:13,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2026-02-10T11:41:13,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2026-02-10T11:41:13,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2026-02-10T11:41:13,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2026-02-10T11:41:13,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2026-02-10T11:41:13,953 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2026-02-10T11:41:13,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2026-02-10T11:41:13,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2026-02-10T11:41:13,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2026-02-10T11:41:13,959 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2026-02-10T11:41:13,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2026-02-10T11:41:13,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2026-02-10T11:41:13,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2026-02-10T11:41:13,966 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2026-02-10T11:41:13,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2026-02-10T11:41:13,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2026-02-10T11:41:13,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2026-02-10T11:41:13,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2026-02-10T11:41:13,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2026-02-10T11:41:13,977 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2026-02-10T11:41:13,978 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2026-02-10T11:41:13,981 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2026-02-10T11:41:13,982 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2026-02-10T11:41:13,984 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2026-02-10T11:41:13,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2026-02-10T11:41:13,988 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2026-02-10T11:41:13,989 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2026-02-10T11:41:13,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2026-02-10T11:41:13,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2026-02-10T11:41:13,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2026-02-10T11:41:13,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2026-02-10T11:41:13,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2026-02-10T11:41:13,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2026-02-10T11:41:14,001 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2026-02-10T11:41:14,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2026-02-10T11:41:14,004 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2026-02-10T11:41:14,005 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2026-02-10T11:41:14,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2026-02-10T11:41:14,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2026-02-10T11:41:14,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2026-02-10T11:41:14,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2026-02-10T11:41:14,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2026-02-10T11:41:14,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2026-02-10T11:41:14,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2026-02-10T11:41:14,019 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2026-02-10T11:41:14,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2026-02-10T11:41:14,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2026-02-10T11:41:14,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2026-02-10T11:41:14,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2026-02-10T11:41:14,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2026-02-10T11:41:14,028 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2026-02-10T11:41:14,030 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2026-02-10T11:41:14,032 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2026-02-10T11:41:14,034 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2026-02-10T11:41:14,035 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2026-02-10T11:41:14,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2026-02-10T11:41:14,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2026-02-10T11:41:14,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2026-02-10T11:41:14,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2026-02-10T11:41:14,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2026-02-10T11:41:14,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2026-02-10T11:41:14,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2026-02-10T11:41:14,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2026-02-10T11:41:14,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2026-02-10T11:41:14,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2026-02-10T11:41:14,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2026-02-10T11:41:14,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2026-02-10T11:41:14,058 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2026-02-10T11:41:14,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2026-02-10T11:41:14,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2026-02-10T11:41:14,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2026-02-10T11:41:14,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2026-02-10T11:41:14,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2026-02-10T11:41:14,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2026-02-10T11:41:14,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2026-02-10T11:41:14,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2026-02-10T11:41:14,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2026-02-10T11:41:14,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2026-02-10T11:41:14,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2026-02-10T11:41:14,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2026-02-10T11:41:14,078 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2026-02-10T11:41:14,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2026-02-10T11:41:14,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2026-02-10T11:41:14,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2026-02-10T11:41:14,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2026-02-10T11:41:14,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2026-02-10T11:41:14,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2026-02-10T11:41:14,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2026-02-10T11:41:14,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2026-02-10T11:41:14,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2026-02-10T11:41:14,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2026-02-10T11:41:14,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2026-02-10T11:41:14,097 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2026-02-10T11:41:14,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2026-02-10T11:41:14,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2026-02-10T11:41:14,103 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2026-02-10T11:41:14,104 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2026-02-10T11:41:14,106 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2026-02-10T11:41:14,107 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2026-02-10T11:41:14,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2026-02-10T11:41:14,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2026-02-10T11:41:14,112 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2026-02-10T11:41:14,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2026-02-10T11:41:14,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2026-02-10T11:41:14,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2026-02-10T11:41:14,119 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2026-02-10T11:41:14,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2026-02-10T11:41:14,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2026-02-10T11:41:14,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2026-02-10T11:41:14,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2026-02-10T11:41:14,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2026-02-10T11:41:14,129 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2026-02-10T11:41:14,130 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2026-02-10T11:41:14,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2026-02-10T11:41:14,134 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2026-02-10T11:41:14,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2026-02-10T11:41:14,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2026-02-10T11:41:14,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2026-02-10T11:41:14,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2026-02-10T11:41:14,143 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2026-02-10T11:41:14,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2026-02-10T11:41:14,146 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2026-02-10T11:41:14,147 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2026-02-10T11:41:14,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2026-02-10T11:41:14,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2026-02-10T11:41:14,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2026-02-10T11:41:14,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2026-02-10T11:41:14,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2026-02-10T11:41:14,156 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2026-02-10T11:41:14,158 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2026-02-10T11:41:14,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2026-02-10T11:41:14,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2026-02-10T11:41:14,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2026-02-10T11:41:14,164 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2026-02-10T11:41:14,165 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2026-02-10T11:41:14,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2026-02-10T11:41:14,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2026-02-10T11:41:14,170 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2026-02-10T11:41:14,171 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2026-02-10T11:41:14,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2026-02-10T11:41:14,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2026-02-10T11:41:14,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2026-02-10T11:41:14,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2026-02-10T11:41:14,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2026-02-10T11:41:14,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2026-02-10T11:41:14,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2026-02-10T11:41:14,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2026-02-10T11:41:14,185 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2026-02-10T11:41:14,186 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2026-02-10T11:41:14,189 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2026-02-10T11:41:14,190 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2026-02-10T11:41:14,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2026-02-10T11:41:14,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2026-02-10T11:41:14,195 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2026-02-10T11:41:14,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2026-02-10T11:41:14,198 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2026-02-10T11:41:14,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2026-02-10T11:41:14,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2026-02-10T11:41:14,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2026-02-10T11:41:14,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2026-02-10T11:41:14,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2026-02-10T11:41:14,207 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2026-02-10T11:41:14,208 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2026-02-10T11:41:14,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2026-02-10T11:41:14,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2026-02-10T11:41:14,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2026-02-10T11:41:14,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2026-02-10T11:41:14,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2026-02-10T11:41:14,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2026-02-10T11:41:14,220 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2026-02-10T11:41:14,221 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2026-02-10T11:41:14,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2026-02-10T11:41:14,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2026-02-10T11:41:14,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2026-02-10T11:41:14,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2026-02-10T11:41:14,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2026-02-10T11:41:14,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2026-02-10T11:41:14,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2026-02-10T11:41:14,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2026-02-10T11:41:14,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2026-02-10T11:41:14,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2026-02-10T11:41:14,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2026-02-10T11:41:14,240 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2026-02-10T11:41:14,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2026-02-10T11:41:14,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2026-02-10T11:41:14,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2026-02-10T11:41:14,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2026-02-10T11:41:14,248 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2026-02-10T11:41:14,249 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2026-02-10T11:41:14,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2026-02-10T11:41:14,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2026-02-10T11:41:14,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2026-02-10T11:41:14,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2026-02-10T11:41:14,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2026-02-10T11:41:14,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2026-02-10T11:41:14,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2026-02-10T11:41:14,262 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2026-02-10T11:41:14,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2026-02-10T11:41:14,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2026-02-10T11:41:14,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2026-02-10T11:41:14,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2026-02-10T11:41:14,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2026-02-10T11:41:14,275 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2026-02-10T11:41:14,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2026-02-10T11:41:14,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2026-02-10T11:41:14,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2026-02-10T11:41:14,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2026-02-10T11:41:14,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2026-02-10T11:41:14,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2026-02-10T11:41:14,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2026-02-10T11:41:14,290 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2026-02-10T11:41:14,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2026-02-10T11:41:14,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2026-02-10T11:41:14,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2026-02-10T11:41:14,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2026-02-10T11:41:14,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2026-02-10T11:41:14,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2026-02-10T11:41:14,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:41:14,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:41:14,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2026-02-10T11:41:14,308 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2026-02-10T11:41:14,310 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2026-02-10T11:41:14,311 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2026-02-10T11:41:14,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2026-02-10T11:41:14,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2026-02-10T11:41:14,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:41:14,318 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:41:14,320 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2026-02-10T11:41:14,321 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2026-02-10T11:41:14,324 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2026-02-10T11:41:14,325 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2026-02-10T11:41:14,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2026-02-10T11:41:14,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2026-02-10T11:41:14,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2026-02-10T11:41:14,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2026-02-10T11:41:14,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2026-02-10T11:41:14,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2026-02-10T11:41:14,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2026-02-10T11:41:14,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2026-02-10T11:41:14,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2026-02-10T11:41:14,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2026-02-10T11:41:14,345 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2026-02-10T11:41:14,346 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2026-02-10T11:41:14,349 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2026-02-10T11:41:14,350 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2026-02-10T11:41:14,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2026-02-10T11:41:14,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2026-02-10T11:41:14,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2026-02-10T11:41:14,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2026-02-10T11:41:14,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2026-02-10T11:41:14,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2026-02-10T11:41:14,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2026-02-10T11:41:14,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2026-02-10T11:41:14,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2026-02-10T11:41:14,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2026-02-10T11:41:14,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2026-02-10T11:41:14,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2026-02-10T11:41:14,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2026-02-10T11:41:14,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2026-02-10T11:41:14,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2026-02-10T11:41:14,378 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2026-02-10T11:41:14,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2026-02-10T11:41:14,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2026-02-10T11:41:14,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2026-02-10T11:41:14,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2026-02-10T11:41:14,388 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2026-02-10T11:41:14,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2026-02-10T11:41:14,392 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2026-02-10T11:41:14,393 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2026-02-10T11:41:14,396 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2026-02-10T11:41:14,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2026-02-10T11:41:14,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2026-02-10T11:41:14,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2026-02-10T11:41:14,406 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2026-02-10T11:41:14,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2026-02-10T11:41:14,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2026-02-10T11:41:14,411 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2026-02-10T11:41:14,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2026-02-10T11:41:14,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2026-02-10T11:41:14,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2026-02-10T11:41:14,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2026-02-10T11:41:14,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2026-02-10T11:41:14,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2026-02-10T11:41:14,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2026-02-10T11:41:14,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2026-02-10T11:41:14,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2026-02-10T11:41:14,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2026-02-10T11:41:14,435 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2026-02-10T11:41:14,437 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2026-02-10T11:41:14,440 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2026-02-10T11:41:14,441 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2026-02-10T11:41:14,443 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2026-02-10T11:41:14,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2026-02-10T11:41:14,447 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2026-02-10T11:41:14,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2026-02-10T11:41:14,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2026-02-10T11:41:14,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2026-02-10T11:41:14,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2026-02-10T11:41:14,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2026-02-10T11:41:14,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2026-02-10T11:41:14,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2026-02-10T11:41:14,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2026-02-10T11:41:14,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2026-02-10T11:41:14,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2026-02-10T11:41:14,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2026-02-10T11:41:14,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2026-02-10T11:41:14,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2026-02-10T11:41:14,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2026-02-10T11:41:14,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2026-02-10T11:41:14,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2026-02-10T11:41:14,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2026-02-10T11:41:14,486 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2026-02-10T11:41:14,488 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2026-02-10T11:41:14,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2026-02-10T11:41:14,491 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2026-02-10T11:41:14,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2026-02-10T11:41:14,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2026-02-10T11:41:14,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2026-02-10T11:41:14,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2026-02-10T11:41:14,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2026-02-10T11:41:14,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2026-02-10T11:41:14,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2026-02-10T11:41:14,507 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2026-02-10T11:41:14,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2026-02-10T11:41:14,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2026-02-10T11:41:14,513 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2026-02-10T11:41:14,514 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2026-02-10T11:41:14,517 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2026-02-10T11:41:14,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2026-02-10T11:41:14,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2026-02-10T11:41:14,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2026-02-10T11:41:14,524 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2026-02-10T11:41:14,525 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2026-02-10T11:41:14,528 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2026-02-10T11:41:14,529 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2026-02-10T11:41:14,531 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2026-02-10T11:41:14,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2026-02-10T11:41:14,535 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2026-02-10T11:41:14,536 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2026-02-10T11:41:14,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2026-02-10T11:41:14,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2026-02-10T11:41:14,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2026-02-10T11:41:14,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2026-02-10T11:41:14,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2026-02-10T11:41:14,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2026-02-10T11:41:14,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2026-02-10T11:41:14,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2026-02-10T11:41:14,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2026-02-10T11:41:14,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2026-02-10T11:41:14,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2026-02-10T11:41:14,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2026-02-10T11:41:14,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2026-02-10T11:41:14,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2026-02-10T11:41:14,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2026-02-10T11:41:14,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2026-02-10T11:41:14,566 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:14,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:41:14,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:14,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:41:14,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:14,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:41:14,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:14,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:41:14,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:14,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:41:14,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:14,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:41:14,591 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:14,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:41:14,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:14,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:41:14,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:14,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:41:14,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:14,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:41:14,605 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:14,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:41:14,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:14,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:41:14,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:14,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:41:14,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:14,616 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:41:14,619 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:14,620 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:41:14,622 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:14,623 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:41:14,626 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:14,627 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:41:14,629 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:14,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:41:14,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:14,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:41:14,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:14,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:41:14,639 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:14,640 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:41:14,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:14,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:41:14,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:14,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:41:14,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:14,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:41:14,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:14,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:41:14,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:14,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:41:14,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:14,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:41:14,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:14,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:41:14,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:14,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:41:14,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:14,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:41:14,676 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:14,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:41:14,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:14,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:41:14,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:14,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:41:14,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:14,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:41:14,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:14,691 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:41:14,694 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:14,695 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:41:14,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:14,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:41:14,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:14,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:41:14,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:14,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:41:14,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:14,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:41:14,711 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:14,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:41:14,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:14,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:41:14,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:14,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:41:14,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:14,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:41:14,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:14,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:41:14,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:14,730 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:41:14,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:14,734 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:41:14,737 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:14,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:41:14,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:14,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:41:14,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:14,745 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:41:14,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:14,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:41:14,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:14,752 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:41:14,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:14,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:41:14,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:14,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:41:14,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:14,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:41:14,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:14,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:41:14,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:14,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:41:14,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:14,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:41:14,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:14,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:41:14,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:14,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:41:14,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:14,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:41:14,785 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:14,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:41:14,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:14,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:41:14,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:14,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:41:14,796 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:14,797 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:41:14,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2026-02-10T11:41:14,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2026-02-10T11:41:14,804 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2026-02-10T11:41:14,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2026-02-10T11:41:14,807 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2026-02-10T11:41:14,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2026-02-10T11:41:14,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2026-02-10T11:41:14,811 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2026-02-10T11:41:14,814 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2026-02-10T11:41:14,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2026-02-10T11:41:14,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2026-02-10T11:41:14,819 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2026-02-10T11:41:14,821 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2026-02-10T11:41:14,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2026-02-10T11:41:14,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2026-02-10T11:41:14,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2026-02-10T11:41:14,827 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2026-02-10T11:41:14,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2026-02-10T11:41:14,831 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2026-02-10T11:41:14,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2026-02-10T11:41:14,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2026-02-10T11:41:14,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2026-02-10T11:41:14,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2026-02-10T11:41:14,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2026-02-10T11:41:14,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2026-02-10T11:41:14,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2026-02-10T11:41:14,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:41:14,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:41:14,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2026-02-10T11:41:14,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2026-02-10T11:41:14,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:41:14,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:41:14,857 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:41:14,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:41:14,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2026-02-10T11:41:14,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2026-02-10T11:41:14,863 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2026-02-10T11:41:14,864 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2026-02-10T11:41:14,867 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:41:14,868 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:41:14,870 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:41:14,871 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:41:14,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2026-02-10T11:41:14,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2026-02-10T11:41:14,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:41:14,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:41:14,881 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:41:14,882 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:41:14,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:41:14,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:41:14,888 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:41:14,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:41:14,892 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:41:14,893 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:41:14,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:41:14,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:41:14,900 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:41:14,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:41:14,904 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:41:14,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:41:14,907 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:41:14,908 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:41:14,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2026-02-10T11:41:14,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2026-02-10T11:41:14,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:41:14,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:41:14,917 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:41:14,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:41:14,920 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:41:14,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:41:14,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:41:14,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:41:14,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:41:14,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:41:14,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:41:14,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:41:14,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:41:14,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:41:14,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:41:14,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:41:14,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2026-02-10T11:41:14,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2026-02-10T11:41:14,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2026-02-10T11:41:14,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2026-02-10T11:41:14,950 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:41:14,951 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:41:14,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:41:14,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:41:14,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:41:14,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:41:14,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2026-02-10T11:41:14,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2026-02-10T11:41:14,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:41:14,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:41:14,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:41:14,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:41:14,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:41:14,974 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:41:14,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:41:14,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:41:14,980 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:41:14,981 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:41:14,983 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2026-02-10T11:41:14,985 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2026-02-10T11:41:14,987 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2026-02-10T11:41:14,988 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2026-02-10T11:41:14,991 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:14,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2026-02-10T11:41:14,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2026-02-10T11:41:14,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2026-02-10T11:41:14,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2026-02-10T11:41:15,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2026-02-10T11:41:15,003 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2026-02-10T11:41:15,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2026-02-10T11:41:15,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2026-02-10T11:41:15,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2026-02-10T11:41:15,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:15,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2026-02-10T11:41:15,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:15,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2026-02-10T11:41:15,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:15,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2026-02-10T11:41:15,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2026-02-10T11:41:15,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2026-02-10T11:41:15,024 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:15,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2026-02-10T11:41:15,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2026-02-10T11:41:15,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2026-02-10T11:41:15,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2026-02-10T11:41:15,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2026-02-10T11:41:15,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2026-02-10T11:41:15,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2026-02-10T11:41:15,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2026-02-10T11:41:15,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2026-02-10T11:41:15,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2026-02-10T11:41:15,043 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2026-02-10T11:41:15,045 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2026-02-10T11:41:15,046 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2026-02-10T11:41:15,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2026-02-10T11:41:15,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2026-02-10T11:41:15,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2026-02-10T11:41:15,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2026-02-10T11:41:15,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:15,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2026-02-10T11:41:15,060 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2026-02-10T11:41:15,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2026-02-10T11:41:15,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:15,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2026-02-10T11:41:15,067 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2026-02-10T11:41:15,068 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2026-02-10T11:41:15,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2026-02-10T11:41:15,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2026-02-10T11:41:15,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2026-02-10T11:41:15,076 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2026-02-10T11:41:15,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2026-02-10T11:41:15,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2026-02-10T11:41:15,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2026-02-10T11:41:15,084 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2026-02-10T11:41:15,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:15,088 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2026-02-10T11:41:15,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:15,092 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2026-02-10T11:41:15,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2026-02-10T11:41:15,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2026-02-10T11:41:15,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:15,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2026-02-10T11:41:15,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:15,102 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2026-02-10T11:41:15,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:15,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2026-02-10T11:41:15,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:15,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2026-02-10T11:41:15,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2026-02-10T11:41:15,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2026-02-10T11:41:15,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2026-02-10T11:41:15,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2026-02-10T11:41:15,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:15,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2026-02-10T11:41:15,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2026-02-10T11:41:15,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2026-02-10T11:41:15,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2026-02-10T11:41:15,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2026-02-10T11:41:15,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2026-02-10T11:41:15,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2026-02-10T11:41:15,137 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2026-02-10T11:41:15,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2026-02-10T11:41:15,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:15,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2026-02-10T11:41:15,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:15,148 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2026-02-10T11:41:15,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2026-02-10T11:41:15,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2026-02-10T11:41:15,156 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2026-02-10T11:41:15,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2026-02-10T11:41:15,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:15,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2026-02-10T11:41:15,167 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2026-02-10T11:41:15,168 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2026-02-10T11:41:15,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2026-02-10T11:41:15,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2026-02-10T11:41:15,176 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:15,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2026-02-10T11:41:15,180 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2026-02-10T11:41:15,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2026-02-10T11:41:15,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2026-02-10T11:41:15,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2026-02-10T11:41:15,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2026-02-10T11:41:15,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2026-02-10T11:41:15,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2026-02-10T11:41:15,196 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2026-02-10T11:41:15,203 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2026-02-10T11:41:15,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2026-02-10T11:41:15,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:15,218 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2026-02-10T11:41:15,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:15,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2026-02-10T11:41:15,233 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:15,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2026-02-10T11:41:15,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2026-02-10T11:41:15,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2026-02-10T11:41:15,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2026-02-10T11:41:15,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2026-02-10T11:41:15,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2026-02-10T11:41:15,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2026-02-10T11:41:15,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2026-02-10T11:41:15,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2026-02-10T11:41:15,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2026-02-10T11:41:15,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2026-02-10T11:41:15,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2026-02-10T11:41:15,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2026-02-10T11:41:15,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2026-02-10T11:41:15,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2026-02-10T11:41:15,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2026-02-10T11:41:15,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2026-02-10T11:41:15,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:15,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2026-02-10T11:41:15,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:15,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2026-02-10T11:41:15,279 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:15,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2026-02-10T11:41:15,283 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2026-02-10T11:41:15,284 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2026-02-10T11:41:15,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2026-02-10T11:41:15,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2026-02-10T11:41:15,292 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2026-02-10T11:41:15,294 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2026-02-10T11:41:15,297 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2026-02-10T11:41:15,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2026-02-10T11:41:15,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2026-02-10T11:41:15,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2026-02-10T11:41:15,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2026-02-10T11:41:15,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2026-02-10T11:41:15,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2026-02-10T11:41:15,313 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2026-02-10T11:41:15,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2026-02-10T11:41:15,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2026-02-10T11:41:15,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2026-02-10T11:41:15,322 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2026-02-10T11:41:15,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:41:15,327 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 2026-02-10T11:41:15,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:41:15,332 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 2026-02-10T11:41:15,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:41:15,336 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 2026-02-10T11:41:15,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:41:15,340 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 2026-02-10T11:41:15,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:41:15,345 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 2026-02-10T11:41:15,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:41:15,349 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 2026-02-10T11:41:15,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:41:15,354 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 2026-02-10T11:41:15,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2026-02-10T11:41:15,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2026-02-10T11:41:15,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2026-02-10T11:41:15,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2026-02-10T11:41:15,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:41:15,367 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 2026-02-10T11:41:15,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2026-02-10T11:41:15,371 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2026-02-10T11:41:15,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2026-02-10T11:41:15,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2026-02-10T11:41:15,378 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:41:15,379 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 2026-02-10T11:41:15,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:41:15,383 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 2026-02-10T11:41:15,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2026-02-10T11:41:15,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2026-02-10T11:41:15,391 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:41:15,392 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 2026-02-10T11:41:15,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2026-02-10T11:41:15,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2026-02-10T11:41:15,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:41:15,399 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 2026-02-10T11:41:15,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2026-02-10T11:41:15,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2026-02-10T11:41:15,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2026-02-10T11:41:15,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2026-02-10T11:41:15,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:41:15,410 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 2026-02-10T11:41:15,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2026-02-10T11:41:15,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2026-02-10T11:41:15,417 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:15,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:41:15,421 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:15,422 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:41:15,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:15,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:41:15,428 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:15,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:41:15,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:15,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:41:15,436 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:15,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:41:15,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:15,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:41:15,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:15,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:41:15,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:15,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:41:15,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:15,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:41:15,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:15,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:41:15,461 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:15,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:41:15,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:15,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:41:15,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:15,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:41:15,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:15,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:41:15,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:15,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:41:15,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:15,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:41:15,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:15,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:41:15,493 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:15,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:41:15,497 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:15,499 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:41:15,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:15,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:41:15,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:15,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:41:15,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:15,512 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:41:15,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:15,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:41:15,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:15,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:41:15,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:15,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:41:15,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:15,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:41:15,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:15,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:41:15,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:15,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:41:15,538 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:15,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:41:15,542 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:15,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:41:15,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:15,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:41:15,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:15,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:41:15,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:15,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:41:15,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:15,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:41:15,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:15,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:41:15,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:15,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:41:15,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:15,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:41:15,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:15,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:41:15,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:15,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:41:15,588 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:15,589 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:41:15,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:15,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:41:15,596 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:15,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:41:15,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:15,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:41:15,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:15,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:41:15,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:15,611 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:41:15,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:15,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:41:15,617 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:15,618 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:41:15,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:15,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:41:15,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:15,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:41:15,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:15,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:41:15,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:15,632 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:41:15,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:15,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:41:15,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:15,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:41:15,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:15,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:41:15,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:15,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:41:15,649 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:15,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:41:15,653 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:15,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:41:15,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:15,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:41:15,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:15,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:41:15,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:15,666 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:41:15,669 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:15,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:41:15,673 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:15,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:41:15,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:15,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:41:15,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:15,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:41:15,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:15,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:41:15,688 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:15,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:41:15,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:15,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:41:15,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:15,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:41:15,701 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:15,702 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:41:15,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:15,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:41:15,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:15,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:41:15,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:15,715 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:41:15,718 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:15,719 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:41:15,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:15,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:41:15,726 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:15,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:41:15,730 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:15,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:41:15,734 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:15,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:41:15,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:15,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:41:15,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:15,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:41:15,746 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:15,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:41:15,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:15,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:41:15,754 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:15,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:41:15,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:15,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:41:15,763 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:15,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:41:15,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:15,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:41:15,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:15,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:41:15,775 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:15,777 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:41:15,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:15,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:41:15,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:15,785 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:41:15,788 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:15,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:41:15,792 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:15,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:41:15,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:15,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:41:15,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:15,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:41:15,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:15,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:41:15,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:15,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:41:15,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:15,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:41:15,816 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:15,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:41:15,820 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:15,821 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:41:15,824 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:15,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:41:15,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:41:15,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:41:15,832 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2026-02-10T11:41:15,833 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2026-02-10T11:41:15,835 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:41:15,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:41:15,839 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:41:15,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:41:15,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:41:15,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:41:15,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:41:15,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:41:15,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:41:15,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:41:15,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:41:15,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:41:15,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2026-02-10T11:41:15,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2026-02-10T11:41:15,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:41:15,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:41:15,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:41:15,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:41:15,872 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:41:15,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:41:15,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:41:15,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:41:15,880 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:41:15,881 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:41:15,885 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:41:15,886 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:41:15,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2026-02-10T11:41:15,890 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2026-02-10T11:41:15,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:41:15,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:41:15,897 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:41:15,898 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:41:15,901 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2026-02-10T11:41:15,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2026-02-10T11:41:15,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:41:15,907 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 2026-02-10T11:41:15,910 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2026-02-10T11:41:15,911 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2026-02-10T11:41:15,913 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2026-02-10T11:41:15,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2026-02-10T11:41:15,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:41:15,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:41:15,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:41:15,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:41:15,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2026-02-10T11:41:15,927 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2026-02-10T11:41:15,930 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2026-02-10T11:41:15,931 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2026-02-10T11:41:15,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:41:15,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:41:15,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:41:15,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:41:15,943 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:41:15,944 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:41:15,946 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2026-02-10T11:41:15,948 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2026-02-10T11:41:15,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2026-02-10T11:41:15,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2026-02-10T11:41:15,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:41:15,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:41:15,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:41:15,961 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:41:15,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:41:15,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:41:15,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:41:15,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:41:15,973 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2026-02-10T11:41:15,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2026-02-10T11:41:15,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2026-02-10T11:41:15,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2026-02-10T11:41:15,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:41:15,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:41:15,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2026-02-10T11:41:15,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2026-02-10T11:41:15,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2026-02-10T11:41:15,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2026-02-10T11:41:15,994 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2026-02-10T11:41:15,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2026-02-10T11:41:15,998 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:41:15,999 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 2026-02-10T11:41:16,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2026-02-10T11:41:16,004 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2026-02-10T11:41:16,007 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:41:16,008 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:41:16,010 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:41:16,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:41:16,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:41:16,016 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:41:16,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2026-02-10T11:41:16,021 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2026-02-10T11:41:16,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:41:16,024 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:41:16,027 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2026-02-10T11:41:16,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2026-02-10T11:41:16,031 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2026-02-10T11:41:16,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2026-02-10T11:41:16,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2026-02-10T11:41:16,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2026-02-10T11:41:16,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2026-02-10T11:41:16,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2026-02-10T11:41:16,044 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2026-02-10T11:41:16,045 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2026-02-10T11:41:16,048 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2026-02-10T11:41:16,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2026-02-10T11:41:16,052 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2026-02-10T11:41:16,053 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2026-02-10T11:41:16,055 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2026-02-10T11:41:16,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2026-02-10T11:41:16,062 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2026-02-10T11:41:16,064 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2026-02-10T11:41:16,066 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2026-02-10T11:41:16,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2026-02-10T11:41:16,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2026-02-10T11:41:16,072 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2026-02-10T11:41:16,075 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2026-02-10T11:41:16,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2026-02-10T11:41:16,079 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2026-02-10T11:41:16,081 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2026-02-10T11:41:16,083 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2026-02-10T11:41:16,085 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2026-02-10T11:41:16,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2026-02-10T11:41:16,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2026-02-10T11:41:16,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2026-02-10T11:41:16,096 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2026-02-10T11:41:16,099 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2026-02-10T11:41:16,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2026-02-10T11:41:16,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2026-02-10T11:41:16,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2026-02-10T11:41:16,109 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2026-02-10T11:41:16,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2026-02-10T11:41:16,114 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2026-02-10T11:41:16,117 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2026-02-10T11:41:16,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2026-02-10T11:41:16,122 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2026-02-10T11:41:16,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2026-02-10T11:41:16,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2026-02-10T11:41:16,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2026-02-10T11:41:16,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2026-02-10T11:41:16,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2026-02-10T11:41:16,138 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2026-02-10T11:41:16,142 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2026-02-10T11:41:16,144 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2026-02-10T11:41:16,147 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2026-02-10T11:41:16,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2026-02-10T11:41:16,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2026-02-10T11:41:16,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2026-02-10T11:41:16,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2026-02-10T11:41:16,159 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2026-02-10T11:41:16,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2026-02-10T11:41:16,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2026-02-10T11:41:16,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2026-02-10T11:41:16,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2026-02-10T11:41:16,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2026-02-10T11:41:16,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2026-02-10T11:41:16,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2026-02-10T11:41:16,180 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2026-02-10T11:41:16,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2026-02-10T11:41:16,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2026-02-10T11:41:16,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2026-02-10T11:41:16,189 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2026-02-10T11:41:16,192 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2026-02-10T11:41:16,193 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2026-02-10T11:41:16,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:41:16,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:41:16,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2026-02-10T11:41:16,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2026-02-10T11:41:16,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2026-02-10T11:41:16,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2026-02-10T11:41:16,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2026-02-10T11:41:16,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2026-02-10T11:41:16,215 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2026-02-10T11:41:16,216 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2026-02-10T11:41:16,219 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2026-02-10T11:41:16,220 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2026-02-10T11:41:16,223 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2026-02-10T11:41:16,224 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2026-02-10T11:41:16,227 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2026-02-10T11:41:16,229 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 2026-02-10T11:41:16,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2026-02-10T11:41:16,233 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2026-02-10T11:41:16,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2026-02-10T11:41:16,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2026-02-10T11:41:16,240 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2026-02-10T11:41:16,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2026-02-10T11:41:16,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2026-02-10T11:41:16,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2026-02-10T11:41:16,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2026-02-10T11:41:16,251 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2026-02-10T11:41:16,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2026-02-10T11:41:16,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2026-02-10T11:41:16,259 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2026-02-10T11:41:16,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2026-02-10T11:41:16,263 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:41:16,264 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 2026-02-10T11:41:16,267 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2026-02-10T11:41:16,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2026-02-10T11:41:16,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2026-02-10T11:41:16,273 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2026-02-10T11:41:16,277 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2026-02-10T11:41:16,278 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2026-02-10T11:41:16,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2026-02-10T11:41:16,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2026-02-10T11:41:16,286 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2026-02-10T11:41:16,287 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2026-02-10T11:41:16,290 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2026-02-10T11:41:16,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2026-02-10T11:41:16,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2026-02-10T11:41:16,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2026-02-10T11:41:16,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2026-02-10T11:41:16,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2026-02-10T11:41:16,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2026-02-10T11:41:16,305 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2026-02-10T11:41:16,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2026-02-10T11:41:16,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2026-02-10T11:41:16,312 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2026-02-10T11:41:16,314 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2026-02-10T11:41:16,316 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:41:16,317 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:41:16,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2026-02-10T11:41:16,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2026-02-10T11:41:16,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2026-02-10T11:41:16,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2026-02-10T11:41:16,326 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2026-02-10T11:41:16,328 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2026-02-10T11:41:16,330 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2026-02-10T11:41:16,331 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2026-02-10T11:41:16,334 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2026-02-10T11:41:16,335 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2026-02-10T11:41:16,337 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2026-02-10T11:41:16,339 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2026-02-10T11:41:16,341 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2026-02-10T11:41:16,342 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2026-02-10T11:41:16,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2026-02-10T11:41:16,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2026-02-10T11:41:16,348 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2026-02-10T11:41:16,349 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2026-02-10T11:41:16,352 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2026-02-10T11:41:16,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2026-02-10T11:41:16,356 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2026-02-10T11:41:16,357 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2026-02-10T11:41:16,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2026-02-10T11:41:16,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2026-02-10T11:41:16,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2026-02-10T11:41:16,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2026-02-10T11:41:16,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2026-02-10T11:41:16,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2026-02-10T11:41:16,371 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2026-02-10T11:41:16,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2026-02-10T11:41:16,375 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:41:16,376 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 2026-02-10T11:41:16,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2026-02-10T11:41:16,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2026-02-10T11:41:16,382 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2026-02-10T11:41:16,383 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2026-02-10T11:41:16,386 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2026-02-10T11:41:16,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2026-02-10T11:41:16,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2026-02-10T11:41:16,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2026-02-10T11:41:16,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2026-02-10T11:41:16,396 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2026-02-10T11:41:16,398 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2026-02-10T11:41:16,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2026-02-10T11:41:16,402 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2026-02-10T11:41:16,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2026-02-10T11:41:16,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2026-02-10T11:41:16,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2026-02-10T11:41:16,410 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2026-02-10T11:41:16,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2026-02-10T11:41:16,414 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2026-02-10T11:41:16,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2026-02-10T11:41:16,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2026-02-10T11:41:16,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2026-02-10T11:41:16,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2026-02-10T11:41:16,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2026-02-10T11:41:16,425 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2026-02-10T11:41:16,426 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2026-02-10T11:41:16,429 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2026-02-10T11:41:16,430 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2026-02-10T11:41:16,433 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2026-02-10T11:41:16,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2026-02-10T11:41:16,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2026-02-10T11:41:16,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2026-02-10T11:41:16,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2026-02-10T11:41:16,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2026-02-10T11:41:16,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:41:16,446 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 2026-02-10T11:41:16,449 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2026-02-10T11:41:16,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2026-02-10T11:41:16,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2026-02-10T11:41:16,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2026-02-10T11:41:16,456 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2026-02-10T11:41:16,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2026-02-10T11:41:16,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2026-02-10T11:41:16,461 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2026-02-10T11:41:16,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2026-02-10T11:41:16,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2026-02-10T11:41:16,467 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2026-02-10T11:41:16,468 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2026-02-10T11:41:16,471 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2026-02-10T11:41:16,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2026-02-10T11:41:16,475 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2026-02-10T11:41:16,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2026-02-10T11:41:16,479 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2026-02-10T11:41:16,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2026-02-10T11:41:16,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2026-02-10T11:41:16,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2026-02-10T11:41:16,487 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2026-02-10T11:41:16,488 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 2026-02-10T11:41:16,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2026-02-10T11:41:16,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2026-02-10T11:41:16,494 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2026-02-10T11:41:16,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2026-02-10T11:41:16,498 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2026-02-10T11:41:16,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2026-02-10T11:41:16,502 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2026-02-10T11:41:16,504 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2026-02-10T11:41:16,506 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2026-02-10T11:41:16,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2026-02-10T11:41:16,510 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2026-02-10T11:41:16,511 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2026-02-10T11:41:16,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2026-02-10T11:41:16,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2026-02-10T11:41:16,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2026-02-10T11:41:16,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2026-02-10T11:41:16,523 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2026-02-10T11:41:16,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2026-02-10T11:41:16,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2026-02-10T11:41:16,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2026-02-10T11:41:16,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2026-02-10T11:41:16,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2026-02-10T11:41:16,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2026-02-10T11:41:16,534 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2026-02-10T11:41:16,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2026-02-10T11:41:16,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2026-02-10T11:41:16,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2026-02-10T11:41:16,540 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 2026-02-10T11:41:16,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2026-02-10T11:41:16,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2026-02-10T11:41:16,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2026-02-10T11:41:16,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2026-02-10T11:41:16,551 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2026-02-10T11:41:16,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2026-02-10T11:41:16,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2026-02-10T11:41:16,556 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2026-02-10T11:41:16,558 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2026-02-10T11:41:16,560 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2026-02-10T11:41:16,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2026-02-10T11:41:16,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2026-02-10T11:41:16,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2026-02-10T11:41:16,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2026-02-10T11:41:16,571 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2026-02-10T11:41:16,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2026-02-10T11:41:16,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2026-02-10T11:41:16,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2026-02-10T11:41:16,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2026-02-10T11:41:16,579 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2026-02-10T11:41:16,581 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2026-02-10T11:41:16,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2026-02-10T11:41:16,585 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2026-02-10T11:41:16,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2026-02-10T11:41:16,589 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2026-02-10T11:41:16,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2026-02-10T11:41:16,592 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2026-02-10T11:41:16,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2026-02-10T11:41:16,595 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2026-02-10T11:41:16,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2026-02-10T11:41:16,599 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2026-02-10T11:41:16,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2026-02-10T11:41:16,603 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2026-02-10T11:41:16,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2026-02-10T11:41:16,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2026-02-10T11:41:16,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2026-02-10T11:41:16,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2026-02-10T11:41:16,612 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2026-02-10T11:41:16,614 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2026-02-10T11:41:16,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2026-02-10T11:41:16,618 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2026-02-10T11:41:16,619 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 2026-02-10T11:41:16,621 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2026-02-10T11:41:16,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2026-02-10T11:41:16,625 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2026-02-10T11:41:16,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2026-02-10T11:41:16,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2026-02-10T11:41:16,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2026-02-10T11:41:16,631 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:41:16,633 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 2026-02-10T11:41:16,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2026-02-10T11:41:16,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2026-02-10T11:41:16,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2026-02-10T11:41:16,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2026-02-10T11:41:16,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2026-02-10T11:41:16,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2026-02-10T11:41:16,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:41:16,647 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 2026-02-10T11:41:16,650 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2026-02-10T11:41:16,651 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2026-02-10T11:41:16,654 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2026-02-10T11:41:16,655 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2026-02-10T11:41:16,657 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2026-02-10T11:41:16,659 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2026-02-10T11:41:16,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:41:16,662 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 2026-02-10T11:41:16,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:41:16,665 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 2026-02-10T11:41:16,667 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2026-02-10T11:41:16,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2026-02-10T11:41:16,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2026-02-10T11:41:16,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2026-02-10T11:41:16,674 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2026-02-10T11:41:16,675 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2026-02-10T11:41:16,677 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2026-02-10T11:41:16,678 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2026-02-10T11:41:16,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2026-02-10T11:41:16,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2026-02-10T11:41:16,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:41:16,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:41:16,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2026-02-10T11:41:16,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2026-02-10T11:41:16,692 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2026-02-10T11:41:16,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2026-02-10T11:41:16,696 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2026-02-10T11:41:16,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2026-02-10T11:41:16,700 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2026-02-10T11:41:16,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2026-02-10T11:41:16,703 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2026-02-10T11:41:16,704 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2026-02-10T11:41:16,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2026-02-10T11:41:16,707 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2026-02-10T11:41:16,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2026-02-10T11:41:16,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2026-02-10T11:41:16,713 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2026-02-10T11:41:16,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2026-02-10T11:41:16,717 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2026-02-10T11:41:16,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2026-02-10T11:41:16,721 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:41:16,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:41:16,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:41:16,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:41:16,728 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:41:16,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:41:16,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:41:16,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:41:16,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:41:16,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:41:16,740 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:41:16,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:41:16,744 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:41:16,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:41:16,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:41:16,749 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:41:16,752 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:41:16,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:41:16,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:41:16,757 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:41:16,760 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:41:16,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:41:16,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:41:16,765 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:41:16,767 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:41:16,769 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:41:16,771 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:41:16,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:41:16,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:41:16,775 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:41:16,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:41:16,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:41:16,781 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:41:16,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:41:16,784 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:41:16,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:41:16,789 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:41:16,790 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:41:16,793 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:41:16,794 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:41:16,797 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:41:16,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:41:16,801 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:41:16,802 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:41:16,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:41:16,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:41:16,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:41:16,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:41:16,812 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2026-02-10T11:41:16,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2026-02-10T11:41:16,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:41:16,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:41:16,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:41:16,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:41:16,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:41:16,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:41:16,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:41:16,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:41:16,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:41:16,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:41:16,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:41:16,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:41:16,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:41:16,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:41:16,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:41:16,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:41:16,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:41:16,848 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:41:16,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2026-02-10T11:41:16,851 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2026-02-10T11:41:16,853 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:41:16,854 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:41:16,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:41:16,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:41:16,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:41:16,860 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:41:16,862 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:41:16,863 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:41:16,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:41:16,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:41:16,868 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:16,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:41:16,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:16,874 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:41:16,876 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:16,877 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2026-02-10T11:41:16,879 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:16,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2026-02-10T11:41:16,883 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2026-02-10T11:41:16,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2026-02-10T11:41:16,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:16,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:41:16,889 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2026-02-10T11:41:16,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2026-02-10T11:41:16,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:16,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2026-02-10T11:41:16,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:16,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2026-02-10T11:41:16,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:16,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2026-02-10T11:41:16,902 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:16,903 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2026-02-10T11:41:16,905 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:16,906 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:41:16,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2026-02-10T11:41:16,910 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2026-02-10T11:41:16,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:16,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2026-02-10T11:41:16,915 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:16,916 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:41:16,918 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2026-02-10T11:41:16,919 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2026-02-10T11:41:16,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:16,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:41:16,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:16,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2026-02-10T11:41:16,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:16,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:41:16,931 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:16,932 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2026-02-10T11:41:16,934 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:16,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2026-02-10T11:41:16,939 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2026-02-10T11:41:16,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2026-02-10T11:41:16,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2026-02-10T11:41:16,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2026-02-10T11:41:16,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2026-02-10T11:41:16,947 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2026-02-10T11:41:16,949 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2026-02-10T11:41:16,950 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2026-02-10T11:41:16,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2026-02-10T11:41:16,953 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2026-02-10T11:41:16,955 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2026-02-10T11:41:16,956 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2026-02-10T11:41:16,958 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2026-02-10T11:41:16,960 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2026-02-10T11:41:16,962 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2026-02-10T11:41:16,963 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2026-02-10T11:41:16,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2026-02-10T11:41:16,967 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2026-02-10T11:41:16,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2026-02-10T11:41:16,970 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2026-02-10T11:41:16,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2026-02-10T11:41:16,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2026-02-10T11:41:16,976 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2026-02-10T11:41:16,977 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2026-02-10T11:41:16,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2026-02-10T11:41:16,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2026-02-10T11:41:16,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2026-02-10T11:41:16,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2026-02-10T11:41:16,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2026-02-10T11:41:16,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2026-02-10T11:41:16,990 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2026-02-10T11:41:16,992 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2026-02-10T11:41:16,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2026-02-10T11:41:16,997 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2026-02-10T11:41:17,000 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2026-02-10T11:41:17,002 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2026-02-10T11:41:17,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2026-02-10T11:41:17,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2026-02-10T11:41:17,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2026-02-10T11:41:17,011 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2026-02-10T11:41:17,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2026-02-10T11:41:17,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2026-02-10T11:41:17,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2026-02-10T11:41:17,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2026-02-10T11:41:17,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2026-02-10T11:41:17,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2026-02-10T11:41:17,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2026-02-10T11:41:17,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2026-02-10T11:41:17,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2026-02-10T11:41:17,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2026-02-10T11:41:17,037 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2026-02-10T11:41:17,039 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2026-02-10T11:41:17,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2026-02-10T11:41:17,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2026-02-10T11:41:17,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2026-02-10T11:41:17,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2026-02-10T11:41:17,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2026-02-10T11:41:17,051 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2026-02-10T11:41:17,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2026-02-10T11:41:17,056 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2026-02-10T11:41:17,059 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2026-02-10T11:41:17,061 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2026-02-10T11:41:17,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2026-02-10T11:41:17,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2026-02-10T11:41:17,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2026-02-10T11:41:17,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2026-02-10T11:41:17,072 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2026-02-10T11:41:17,073 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2026-02-10T11:41:17,076 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2026-02-10T11:41:17,077 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2026-02-10T11:41:17,080 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2026-02-10T11:41:17,082 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2026-02-10T11:41:17,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2026-02-10T11:41:17,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2026-02-10T11:41:17,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2026-02-10T11:41:17,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2026-02-10T11:41:17,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2026-02-10T11:41:17,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2026-02-10T11:41:17,096 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2026-02-10T11:41:17,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2026-02-10T11:41:17,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2026-02-10T11:41:17,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2026-02-10T11:41:17,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2026-02-10T11:41:17,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2026-02-10T11:41:17,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2026-02-10T11:41:17,109 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2026-02-10T11:41:17,111 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2026-02-10T11:41:17,113 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2026-02-10T11:41:17,115 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2026-02-10T11:41:17,116 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2026-02-10T11:41:17,118 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2026-02-10T11:41:17,120 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2026-02-10T11:41:17,122 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2026-02-10T11:41:17,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2026-02-10T11:41:17,126 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2026-02-10T11:41:17,127 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2026-02-10T11:41:17,130 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2026-02-10T11:41:17,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2026-02-10T11:41:17,134 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2026-02-10T11:41:17,135 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2026-02-10T11:41:17,138 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2026-02-10T11:41:17,139 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2026-02-10T11:41:17,141 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2026-02-10T11:41:17,142 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2026-02-10T11:41:17,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2026-02-10T11:41:17,145 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2026-02-10T11:41:17,148 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2026-02-10T11:41:17,149 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2026-02-10T11:41:17,151 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2026-02-10T11:41:17,152 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2026-02-10T11:41:17,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2026-02-10T11:41:17,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2026-02-10T11:41:17,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2026-02-10T11:41:17,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2026-02-10T11:41:17,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2026-02-10T11:41:17,164 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2026-02-10T11:41:17,166 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2026-02-10T11:41:17,167 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2026-02-10T11:41:17,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2026-02-10T11:41:17,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2026-02-10T11:41:17,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2026-02-10T11:41:17,174 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2026-02-10T11:41:17,177 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2026-02-10T11:41:17,178 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2026-02-10T11:41:17,181 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2026-02-10T11:41:17,182 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2026-02-10T11:41:17,184 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2026-02-10T11:41:17,185 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2026-02-10T11:41:17,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2026-02-10T11:41:17,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2026-02-10T11:41:17,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2026-02-10T11:41:17,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2026-02-10T11:41:17,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:41:17,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:41:17,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:41:17,199 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:41:17,202 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:41:17,203 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:41:17,206 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:41:17,207 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:41:17,210 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:41:17,211 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:41:17,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:41:17,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:41:17,218 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:41:17,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:41:17,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:41:17,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:41:17,224 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:41:17,225 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:41:17,228 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2026-02-10T11:41:17,229 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2026-02-10T11:41:17,231 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:41:17,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:41:17,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2026-02-10T11:41:17,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2026-02-10T11:41:17,238 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:41:17,239 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:41:17,242 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2026-02-10T11:41:17,243 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2026-02-10T11:41:17,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2026-02-10T11:41:17,246 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2026-02-10T11:41:17,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:41:17,250 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:41:17,252 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:41:17,253 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:41:17,255 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:41:17,256 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:41:17,258 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2026-02-10T11:41:17,260 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2026-02-10T11:41:17,262 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:41:17,264 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:41:17,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2026-02-10T11:41:17,268 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2026-02-10T11:41:17,271 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2026-02-10T11:41:17,272 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2026-02-10T11:41:17,274 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2026-02-10T11:41:17,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2026-02-10T11:41:17,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2026-02-10T11:41:17,280 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2026-02-10T11:41:17,282 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2026-02-10T11:41:17,283 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2026-02-10T11:41:17,285 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2026-02-10T11:41:17,286 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2026-02-10T11:41:17,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2026-02-10T11:41:17,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2026-02-10T11:41:17,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2026-02-10T11:41:17,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2026-02-10T11:41:17,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2026-02-10T11:41:17,297 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2026-02-10T11:41:17,300 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2026-02-10T11:41:17,301 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2026-02-10T11:41:17,303 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:17,304 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2026-02-10T11:41:17,307 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2026-02-10T11:41:17,309 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2026-02-10T11:41:17,311 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2026-02-10T11:41:17,312 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2026-02-10T11:41:17,315 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2026-02-10T11:41:17,316 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2026-02-10T11:41:17,319 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2026-02-10T11:41:17,320 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2026-02-10T11:41:17,323 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:17,324 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:41:17,327 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:17,329 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:41:17,331 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2026-02-10T11:41:17,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2026-02-10T11:41:17,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2026-02-10T11:41:17,337 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2026-02-10T11:41:17,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:17,340 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2026-02-10T11:41:17,342 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2026-02-10T11:41:17,343 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2026-02-10T11:41:17,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2026-02-10T11:41:17,347 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2026-02-10T11:41:17,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2026-02-10T11:41:17,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2026-02-10T11:41:17,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2026-02-10T11:41:17,354 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2026-02-10T11:41:17,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2026-02-10T11:41:17,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2026-02-10T11:41:17,360 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2026-02-10T11:41:17,361 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2026-02-10T11:41:17,363 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:17,364 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2026-02-10T11:41:17,367 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2026-02-10T11:41:17,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2026-02-10T11:41:17,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2026-02-10T11:41:17,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2026-02-10T11:41:17,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2026-02-10T11:41:17,376 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2026-02-10T11:41:17,379 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2026-02-10T11:41:17,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2026-02-10T11:41:17,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:17,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2026-02-10T11:41:17,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2026-02-10T11:41:17,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2026-02-10T11:41:17,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2026-02-10T11:41:17,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2026-02-10T11:41:17,394 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2026-02-10T11:41:17,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2026-02-10T11:41:17,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2026-02-10T11:41:17,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2026-02-10T11:41:17,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:17,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2026-02-10T11:41:17,404 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2026-02-10T11:41:17,405 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2026-02-10T11:41:17,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2026-02-10T11:41:17,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2026-02-10T11:41:17,411 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2026-02-10T11:41:17,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2026-02-10T11:41:17,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:17,416 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2026-02-10T11:41:17,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2026-02-10T11:41:17,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2026-02-10T11:41:17,422 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2026-02-10T11:41:17,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2026-02-10T11:41:17,426 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:17,427 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2026-02-10T11:41:17,430 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2026-02-10T11:41:17,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2026-02-10T11:41:17,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2026-02-10T11:41:17,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2026-02-10T11:41:17,438 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2026-02-10T11:41:17,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2026-02-10T11:41:17,442 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2026-02-10T11:41:17,443 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2026-02-10T11:41:17,446 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2026-02-10T11:41:17,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2026-02-10T11:41:17,450 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2026-02-10T11:41:17,451 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2026-02-10T11:41:17,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2026-02-10T11:41:17,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2026-02-10T11:41:17,457 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2026-02-10T11:41:17,458 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2026-02-10T11:41:17,460 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2026-02-10T11:41:17,462 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2026-02-10T11:41:17,465 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2026-02-10T11:41:17,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2026-02-10T11:41:17,469 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2026-02-10T11:41:17,470 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2026-02-10T11:41:17,473 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2026-02-10T11:41:17,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2026-02-10T11:41:17,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2026-02-10T11:41:17,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2026-02-10T11:41:17,480 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2026-02-10T11:41:17,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2026-02-10T11:41:17,483 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2026-02-10T11:41:17,485 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2026-02-10T11:41:17,488 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2026-02-10T11:41:17,489 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2026-02-10T11:41:17,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2026-02-10T11:41:17,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2026-02-10T11:41:17,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2026-02-10T11:41:17,498 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2026-02-10T11:41:17,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2026-02-10T11:41:17,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2026-02-10T11:41:17,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2026-02-10T11:41:17,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2026-02-10T11:41:17,507 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2026-02-10T11:41:17,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2026-02-10T11:41:17,511 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2026-02-10T11:41:17,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2026-02-10T11:41:17,514 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2026-02-10T11:41:17,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2026-02-10T11:41:17,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2026-02-10T11:41:17,519 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2026-02-10T11:41:17,521 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:41:17,522 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:41:17,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2026-02-10T11:41:17,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2026-02-10T11:41:17,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2026-02-10T11:41:17,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2026-02-10T11:41:17,532 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:41:17,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:41:17,536 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2026-02-10T11:41:17,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2026-02-10T11:41:17,540 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2026-02-10T11:41:17,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2026-02-10T11:41:17,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:41:17,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:41:17,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2026-02-10T11:41:17,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2026-02-10T11:41:17,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2026-02-10T11:41:17,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2026-02-10T11:41:17,555 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2026-02-10T11:41:17,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2026-02-10T11:41:17,559 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:41:17,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:41:17,563 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2026-02-10T11:41:17,564 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2026-02-10T11:41:17,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2026-02-10T11:41:17,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2026-02-10T11:41:17,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2026-02-10T11:41:17,571 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2026-02-10T11:41:17,573 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2026-02-10T11:41:17,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2026-02-10T11:41:17,577 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2026-02-10T11:41:17,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2026-02-10T11:41:17,580 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2026-02-10T11:41:17,582 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2026-02-10T11:41:17,584 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2026-02-10T11:41:17,585 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2026-02-10T11:41:17,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2026-02-10T11:41:17,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2026-02-10T11:41:17,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2026-02-10T11:41:17,592 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2026-02-10T11:41:17,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2026-02-10T11:41:17,596 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2026-02-10T11:41:17,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2026-02-10T11:41:17,600 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2026-02-10T11:41:17,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2026-02-10T11:41:17,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2026-02-10T11:41:17,606 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2026-02-10T11:41:17,607 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2026-02-10T11:41:17,609 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2026-02-10T11:41:17,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2026-02-10T11:41:17,613 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2026-02-10T11:41:17,614 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2026-02-10T11:41:17,616 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2026-02-10T11:41:17,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2026-02-10T11:41:17,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2026-02-10T11:41:17,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2026-02-10T11:41:17,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2026-02-10T11:41:17,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2026-02-10T11:41:17,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2026-02-10T11:41:17,630 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2026-02-10T11:41:17,632 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2026-02-10T11:41:17,633 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2026-02-10T11:41:17,635 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2026-02-10T11:41:17,636 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2026-02-10T11:41:17,638 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2026-02-10T11:41:17,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2026-02-10T11:41:17,641 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2026-02-10T11:41:17,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2026-02-10T11:41:17,644 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:41:17,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:41:17,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2026-02-10T11:41:17,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2026-02-10T11:41:17,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2026-02-10T11:41:17,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2026-02-10T11:41:17,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2026-02-10T11:41:17,657 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2026-02-10T11:41:17,660 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2026-02-10T11:41:17,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2026-02-10T11:41:17,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2026-02-10T11:41:17,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2026-02-10T11:41:17,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2026-02-10T11:41:17,669 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2026-02-10T11:41:17,671 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2026-02-10T11:41:17,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2026-02-10T11:41:17,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2026-02-10T11:41:17,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2026-02-10T11:41:17,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2026-02-10T11:41:17,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2026-02-10T11:41:17,681 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2026-02-10T11:41:17,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2026-02-10T11:41:17,685 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2026-02-10T11:41:17,686 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2026-02-10T11:41:17,689 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2026-02-10T11:41:17,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2026-02-10T11:41:17,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2026-02-10T11:41:17,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2026-02-10T11:41:17,697 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2026-02-10T11:41:17,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2026-02-10T11:41:17,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2026-02-10T11:41:17,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2026-02-10T11:41:17,705 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2026-02-10T11:41:17,706 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2026-02-10T11:41:17,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2026-02-10T11:41:17,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2026-02-10T11:41:17,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2026-02-10T11:41:17,713 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2026-02-10T11:41:17,715 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2026-02-10T11:41:17,717 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2026-02-10T11:41:17,719 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2026-02-10T11:41:17,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2026-02-10T11:41:17,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2026-02-10T11:41:17,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2026-02-10T11:41:17,727 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2026-02-10T11:41:17,728 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2026-02-10T11:41:17,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2026-02-10T11:41:17,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2026-02-10T11:41:17,735 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:41:17,737 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:41:17,739 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2026-02-10T11:41:17,741 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2026-02-10T11:41:17,743 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2026-02-10T11:41:17,744 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2026-02-10T11:41:17,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2026-02-10T11:41:17,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2026-02-10T11:41:17,751 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2026-02-10T11:41:17,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2026-02-10T11:41:17,755 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2026-02-10T11:41:17,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2026-02-10T11:41:17,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2026-02-10T11:41:17,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2026-02-10T11:41:17,762 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2026-02-10T11:41:17,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2026-02-10T11:41:17,766 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2026-02-10T11:41:17,768 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2026-02-10T11:41:17,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2026-02-10T11:41:17,772 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2026-02-10T11:41:17,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2026-02-10T11:41:17,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2026-02-10T11:41:17,779 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2026-02-10T11:41:17,780 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2026-02-10T11:41:17,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:17,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2026-02-10T11:41:17,786 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:17,787 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2026-02-10T11:41:17,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:17,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2026-02-10T11:41:17,794 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:17,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2026-02-10T11:41:17,798 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:17,799 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2026-02-10T11:41:17,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:17,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2026-02-10T11:41:17,808 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:17,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2026-02-10T11:41:17,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:17,814 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2026-02-10T11:41:17,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:17,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:41:17,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:17,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2026-02-10T11:41:17,828 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:17,829 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2026-02-10T11:41:17,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:17,834 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2026-02-10T11:41:17,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:17,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2026-02-10T11:41:17,843 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:17,844 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2026-02-10T11:41:17,847 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:17,849 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2026-02-10T11:41:17,851 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:17,853 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2026-02-10T11:41:17,856 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:17,857 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2026-02-10T11:41:17,860 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:17,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2026-02-10T11:41:17,864 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:17,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2026-02-10T11:41:17,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:17,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2026-02-10T11:41:17,873 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:17,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2026-02-10T11:41:17,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:17,879 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2026-02-10T11:41:17,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:17,884 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2026-02-10T11:41:17,887 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:17,888 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2026-02-10T11:41:17,891 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:17,892 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2026-02-10T11:41:17,895 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:17,896 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2026-02-10T11:41:17,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:17,901 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2026-02-10T11:41:17,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:17,905 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2026-02-10T11:41:17,908 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:17,909 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2026-02-10T11:41:17,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:17,914 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2026-02-10T11:41:17,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:17,918 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2026-02-10T11:41:17,921 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:17,922 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2026-02-10T11:41:17,924 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:17,925 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2026-02-10T11:41:17,928 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:17,929 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2026-02-10T11:41:17,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:17,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2026-02-10T11:41:17,936 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:17,937 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2026-02-10T11:41:17,940 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:17,941 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2026-02-10T11:41:17,944 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:17,945 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2026-02-10T11:41:17,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:17,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2026-02-10T11:41:17,952 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:17,954 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2026-02-10T11:41:17,956 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:17,957 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2026-02-10T11:41:17,960 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:17,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2026-02-10T11:41:17,965 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:17,966 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2026-02-10T11:41:17,969 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:17,971 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2026-02-10T11:41:17,974 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:17,975 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2026-02-10T11:41:17,978 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:17,979 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2026-02-10T11:41:17,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:17,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2026-02-10T11:41:17,986 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:17,987 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2026-02-10T11:41:17,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:17,991 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2026-02-10T11:41:17,993 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:17,995 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2026-02-10T11:41:17,997 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2026-02-10T11:41:17,999 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2026-02-10T11:41:18,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2026-02-10T11:41:18,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2026-02-10T11:41:18,006 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2026-02-10T11:41:18,007 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2026-02-10T11:41:18,009 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2026-02-10T11:41:18,010 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2026-02-10T11:41:18,012 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2026-02-10T11:41:18,013 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2026-02-10T11:41:18,015 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2026-02-10T11:41:18,017 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2026-02-10T11:41:18,019 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2026-02-10T11:41:18,020 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2026-02-10T11:41:18,023 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2026-02-10T11:41:18,025 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2026-02-10T11:41:18,028 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2026-02-10T11:41:18,029 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2026-02-10T11:41:18,032 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2026-02-10T11:41:18,033 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2026-02-10T11:41:18,035 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2026-02-10T11:41:18,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2026-02-10T11:41:18,040 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2026-02-10T11:41:18,041 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2026-02-10T11:41:18,043 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2026-02-10T11:41:18,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2026-02-10T11:41:18,047 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2026-02-10T11:41:18,048 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2026-02-10T11:41:18,050 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2026-02-10T11:41:18,052 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2026-02-10T11:41:18,054 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2026-02-10T11:41:18,055 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2026-02-10T11:41:18,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2026-02-10T11:41:18,059 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2026-02-10T11:41:18,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2026-02-10T11:41:18,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2026-02-10T11:41:18,064 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2026-02-10T11:41:18,065 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2026-02-10T11:41:18,068 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2026-02-10T11:41:18,069 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2026-02-10T11:41:18,071 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2026-02-10T11:41:18,074 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2026-02-10T11:41:18,077 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2026-02-10T11:41:18,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2026-02-10T11:41:18,082 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2026-02-10T11:41:18,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2026-02-10T11:41:18,086 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2026-02-10T11:41:18,087 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2026-02-10T11:41:18,090 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2026-02-10T11:41:18,091 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2026-02-10T11:41:18,094 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2026-02-10T11:41:18,095 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2026-02-10T11:41:18,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2026-02-10T11:41:18,098 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2026-02-10T11:41:18,100 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2026-02-10T11:41:18,101 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2026-02-10T11:41:18,104 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2026-02-10T11:41:18,105 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2026-02-10T11:41:18,107 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2026-02-10T11:41:18,108 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2026-02-10T11:41:18,110 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2026-02-10T11:41:18,111 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2026-02-10T11:41:18,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2026-02-10T11:41:18,115 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2026-02-10T11:41:18,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2026-02-10T11:41:18,118 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2026-02-10T11:41:18,120 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2026-02-10T11:41:18,121 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2026-02-10T11:41:18,124 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2026-02-10T11:41:18,125 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2026-02-10T11:41:18,127 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2026-02-10T11:41:18,128 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2026-02-10T11:41:18,131 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2026-02-10T11:41:18,132 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2026-02-10T11:41:18,135 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2026-02-10T11:41:18,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2026-02-10T11:41:18,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2026-02-10T11:41:18,141 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2026-02-10T11:41:18,144 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2026-02-10T11:41:18,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2026-02-10T11:41:18,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2026-02-10T11:41:18,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2026-02-10T11:41:18,153 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2026-02-10T11:41:18,154 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2026-02-10T11:41:18,157 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2026-02-10T11:41:18,158 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2026-02-10T11:41:18,161 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2026-02-10T11:41:18,162 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2026-02-10T11:41:18,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2026-02-10T11:41:18,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2026-02-10T11:41:18,169 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2026-02-10T11:41:18,170 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2026-02-10T11:41:18,173 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2026-02-10T11:41:18,175 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2026-02-10T11:41:18,178 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2026-02-10T11:41:18,179 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2026-02-10T11:41:18,182 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2026-02-10T11:41:18,183 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2026-02-10T11:41:18,186 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2026-02-10T11:41:18,187 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2026-02-10T11:41:18,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2026-02-10T11:41:18,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2026-02-10T11:41:18,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2026-02-10T11:41:18,194 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2026-02-10T11:41:18,196 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2026-02-10T11:41:18,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2026-02-10T11:41:18,201 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2026-02-10T11:41:18,202 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2026-02-10T11:41:18,205 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2026-02-10T11:41:18,206 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2026-02-10T11:41:18,209 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2026-02-10T11:41:18,210 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2026-02-10T11:41:18,213 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:18,214 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2026-02-10T11:41:18,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2026-02-10T11:41:18,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2026-02-10T11:41:18,222 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:18,223 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2026-02-10T11:41:18,226 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2026-02-10T11:41:18,227 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2026-02-10T11:41:18,230 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2026-02-10T11:41:18,232 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2026-02-10T11:41:18,234 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2026-02-10T11:41:18,235 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2026-02-10T11:41:18,237 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:18,238 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2026-02-10T11:41:18,241 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2026-02-10T11:41:18,242 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2026-02-10T11:41:18,245 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2026-02-10T11:41:18,247 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2026-02-10T11:41:18,249 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:41:18,251 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 2026-02-10T11:41:18,253 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:18,254 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2026-02-10T11:41:18,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2026-02-10T11:41:18,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2026-02-10T11:41:18,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:41:18,263 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 2026-02-10T11:41:18,265 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2026-02-10T11:41:18,266 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2026-02-10T11:41:18,269 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:18,270 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2026-02-10T11:41:18,272 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:41:18,273 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 2026-02-10T11:41:18,275 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:18,276 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2026-02-10T11:41:18,278 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:18,279 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2026-02-10T11:41:18,281 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2026-02-10T11:41:18,282 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2026-02-10T11:41:18,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:18,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2026-02-10T11:41:18,287 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:18,288 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2026-02-10T11:41:18,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2026-02-10T11:41:18,292 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2026-02-10T11:41:18,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:41:18,296 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 2026-02-10T11:41:18,298 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2026-02-10T11:41:18,299 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2026-02-10T11:41:18,301 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:18,302 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2026-02-10T11:41:18,304 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:18,306 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2026-02-10T11:41:18,308 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:41:18,310 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 2026-02-10T11:41:18,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2026-02-10T11:41:18,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2026-02-10T11:41:18,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:41:18,319 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 2026-02-10T11:41:18,321 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:41:18,323 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 2026-02-10T11:41:18,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:41:18,327 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 2026-02-10T11:41:18,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:41:18,330 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 2026-02-10T11:41:18,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:41:18,333 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 2026-02-10T11:41:18,335 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:41:18,336 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 2026-02-10T11:41:18,339 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:41:18,340 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 2026-02-10T11:41:18,343 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:41:18,344 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 2026-02-10T11:41:18,346 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:41:18,348 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 2026-02-10T11:41:18,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:41:18,351 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 2026-02-10T11:41:18,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:41:18,355 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 2026-02-10T11:41:18,358 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:18,359 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2026-02-10T11:41:18,362 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:18,363 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2026-02-10T11:41:18,366 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:18,368 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:41:18,370 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:41:18,372 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 2026-02-10T11:41:18,374 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:41:18,375 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 2026-02-10T11:41:18,377 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:18,379 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:41:18,381 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:41:18,382 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 2026-02-10T11:41:18,385 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:18,386 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2026-02-10T11:41:18,389 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:41:18,390 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 2026-02-10T11:41:18,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2026-02-10T11:41:18,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2026-02-10T11:41:18,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2026-02-10T11:41:18,399 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2026-02-10T11:41:18,401 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2026-02-10T11:41:18,403 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2026-02-10T11:41:18,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2026-02-10T11:41:18,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2026-02-10T11:41:18,408 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:18,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2026-02-10T11:41:18,412 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2026-02-10T11:41:18,413 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2026-02-10T11:41:18,415 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2026-02-10T11:41:18,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2026-02-10T11:41:18,419 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:18,420 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:41:18,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:18,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:41:18,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:18,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:41:18,431 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2026-02-10T11:41:18,432 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2026-02-10T11:41:18,434 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2026-02-10T11:41:18,435 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2026-02-10T11:41:18,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:18,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:41:18,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2026-02-10T11:41:18,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2026-02-10T11:41:18,444 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:18,445 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:41:18,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:18,449 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:41:18,452 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2026-02-10T11:41:18,453 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2026-02-10T11:41:18,455 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:18,457 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:41:18,459 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2026-02-10T11:41:18,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2026-02-10T11:41:18,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2026-02-10T11:41:18,464 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2026-02-10T11:41:18,466 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:18,467 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:41:18,470 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:18,472 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:41:18,474 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:18,476 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2026-02-10T11:41:18,478 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:18,480 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2026-02-10T11:41:18,482 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:18,483 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2026-02-10T11:41:18,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:18,486 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2026-02-10T11:41:18,489 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:18,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2026-02-10T11:41:18,492 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:18,494 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2026-02-10T11:41:18,496 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:18,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2026-02-10T11:41:18,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:18,501 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2026-02-10T11:41:18,504 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:18,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2026-02-10T11:41:18,508 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:18,509 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2026-02-10T11:41:18,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:18,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2026-02-10T11:41:18,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:18,516 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2026-02-10T11:41:18,519 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:18,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2026-02-10T11:41:18,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:18,524 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2026-02-10T11:41:18,526 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:18,527 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2026-02-10T11:41:18,530 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:18,532 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2026-02-10T11:41:18,534 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:18,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2026-02-10T11:41:18,539 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:18,540 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2026-02-10T11:41:18,543 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:18,544 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2026-02-10T11:41:18,547 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:18,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2026-02-10T11:41:18,550 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:18,552 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2026-02-10T11:41:18,554 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:18,555 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2026-02-10T11:41:18,557 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:18,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2026-02-10T11:41:18,561 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:18,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2026-02-10T11:41:18,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:18,566 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2026-02-10T11:41:18,568 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:18,569 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2026-02-10T11:41:18,572 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:18,573 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2026-02-10T11:41:18,575 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:18,577 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2026-02-10T11:41:18,579 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:18,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2026-02-10T11:41:18,582 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:18,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2026-02-10T11:41:18,586 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:18,587 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2026-02-10T11:41:18,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:18,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2026-02-10T11:41:18,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:18,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2026-02-10T11:41:18,598 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:18,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2026-02-10T11:41:18,602 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:18,604 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2026-02-10T11:41:18,607 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:18,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2026-02-10T11:41:18,611 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:18,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2026-02-10T11:41:18,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:18,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2026-02-10T11:41:18,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:18,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2026-02-10T11:41:18,624 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:18,625 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2026-02-10T11:41:18,628 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:18,629 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2026-02-10T11:41:18,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:18,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2026-02-10T11:41:18,637 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:18,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2026-02-10T11:41:18,642 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:18,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2026-02-10T11:41:18,646 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:18,648 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2026-02-10T11:41:18,651 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:18,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2026-02-10T11:41:18,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:18,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2026-02-10T11:41:18,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:18,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2026-02-10T11:41:18,665 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2026-02-10T11:41:18,667 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2026-02-10T11:41:18,670 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2026-02-10T11:41:18,672 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2026-02-10T11:41:18,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2026-02-10T11:41:18,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2026-02-10T11:41:18,679 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:41:18,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:41:18,683 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:41:18,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:41:18,687 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:41:18,689 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:41:18,693 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:41:18,694 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:41:18,698 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2026-02-10T11:41:18,699 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2026-02-10T11:41:18,702 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2026-02-10T11:41:18,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2026-02-10T11:41:18,706 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:41:18,707 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 2026-02-10T11:41:18,709 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2026-02-10T11:41:18,710 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2026-02-10T11:41:18,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:41:18,714 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 2026-02-10T11:41:18,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:41:18,717 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 2026-02-10T11:41:18,720 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2026-02-10T11:41:18,722 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2026-02-10T11:41:18,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2026-02-10T11:41:18,726 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2026-02-10T11:41:18,729 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2026-02-10T11:41:18,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2026-02-10T11:41:18,733 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2026-02-10T11:41:18,735 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2026-02-10T11:41:18,738 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:41:18,739 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 2026-02-10T11:41:18,741 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2026-02-10T11:41:18,742 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2026-02-10T11:41:18,745 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2026-02-10T11:41:18,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2026-02-10T11:41:18,748 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2026-02-10T11:41:18,750 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2026-02-10T11:41:18,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2026-02-10T11:41:18,754 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2026-02-10T11:41:18,757 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:41:18,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:41:18,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:41:18,762 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:41:18,764 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:41:18,766 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:41:18,769 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:41:18,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:41:18,773 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:41:18,774 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:41:18,777 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2026-02-10T11:41:18,778 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2026-02-10T11:41:18,780 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2026-02-10T11:41:18,781 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2026-02-10T11:41:18,783 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:41:18,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:41:18,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2026-02-10T11:41:18,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2026-02-10T11:41:18,791 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:41:18,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:41:18,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2026-02-10T11:41:18,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2026-02-10T11:41:18,800 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:41:18,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:41:18,805 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2026-02-10T11:41:18,806 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2026-02-10T11:41:18,809 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2026-02-10T11:41:18,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2026-02-10T11:41:18,813 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:41:18,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:41:18,818 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2026-02-10T11:41:18,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2026-02-10T11:41:18,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2026-02-10T11:41:18,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2026-02-10T11:41:18,829 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:41:18,830 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:41:18,833 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2026-02-10T11:41:18,835 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2026-02-10T11:41:18,837 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2026-02-10T11:41:18,839 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2026-02-10T11:41:18,841 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2026-02-10T11:41:18,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2026-02-10T11:41:18,846 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:41:18,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:41:18,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:41:18,851 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 2026-02-10T11:41:18,854 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2026-02-10T11:41:18,855 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2026-02-10T11:41:18,859 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2026-02-10T11:41:18,861 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2026-02-10T11:41:18,865 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2026-02-10T11:41:18,866 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2026-02-10T11:41:18,869 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2026-02-10T11:41:18,870 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2026-02-10T11:41:18,874 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2026-02-10T11:41:18,875 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2026-02-10T11:41:18,878 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2026-02-10T11:41:18,880 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2026-02-10T11:41:18,882 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2026-02-10T11:41:18,883 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2026-02-10T11:41:18,886 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2026-02-10T11:41:18,887 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2026-02-10T11:41:18,890 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2026-02-10T11:41:18,891 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2026-02-10T11:41:18,893 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:41:18,894 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:41:18,896 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:41:18,897 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:41:18,899 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2026-02-10T11:41:18,900 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2026-02-10T11:41:18,903 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:41:18,904 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 2026-02-10T11:41:18,906 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2026-02-10T11:41:18,907 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2026-02-10T11:41:18,909 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:41:18,910 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 2026-02-10T11:41:18,912 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2026-02-10T11:41:18,913 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2026-02-10T11:41:18,916 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2026-02-10T11:41:18,917 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2026-02-10T11:41:18,919 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2026-02-10T11:41:18,920 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2026-02-10T11:41:18,922 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2026-02-10T11:41:18,923 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2026-02-10T11:41:18,925 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2026-02-10T11:41:18,926 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2026-02-10T11:41:18,929 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2026-02-10T11:41:18,930 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2026-02-10T11:41:18,932 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2026-02-10T11:41:18,933 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2026-02-10T11:41:18,935 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2026-02-10T11:41:18,936 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2026-02-10T11:41:18,938 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2026-02-10T11:41:18,940 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2026-02-10T11:41:18,942 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2026-02-10T11:41:18,943 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2026-02-10T11:41:18,945 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2026-02-10T11:41:18,946 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2026-02-10T11:41:18,948 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2026-02-10T11:41:18,949 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2026-02-10T11:41:18,951 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2026-02-10T11:41:18,952 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2026-02-10T11:41:18,954 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2026-02-10T11:41:18,955 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2026-02-10T11:41:18,957 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2026-02-10T11:41:18,958 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2026-02-10T11:41:18,961 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2026-02-10T11:41:18,962 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2026-02-10T11:41:18,964 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2026-02-10T11:41:18,965 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2026-02-10T11:41:18,968 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2026-02-10T11:41:18,969 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2026-02-10T11:41:18,972 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2026-02-10T11:41:18,973 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2026-02-10T11:41:18,975 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2026-02-10T11:41:18,976 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2026-02-10T11:41:18,979 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2026-02-10T11:41:18,980 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2026-02-10T11:41:18,982 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2026-02-10T11:41:18,983 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2026-02-10T11:41:18,985 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2026-02-10T11:41:18,986 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2026-02-10T11:41:18,989 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2026-02-10T11:41:18,990 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2026-02-10T11:41:18,992 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2026-02-10T11:41:18,993 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2026-02-10T11:41:18,995 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2026-02-10T11:41:18,996 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2026-02-10T11:41:18,999 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2026-02-10T11:41:19,000 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2026-02-10T11:41:19,002 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2026-02-10T11:41:19,003 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2026-02-10T11:41:19,005 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2026-02-10T11:41:19,006 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2026-02-10T11:41:19,008 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2026-02-10T11:41:19,009 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2026-02-10T11:41:19,011 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2026-02-10T11:41:19,012 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2026-02-10T11:41:19,014 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2026-02-10T11:41:19,015 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2026-02-10T11:41:19,017 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2026-02-10T11:41:19,018 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2026-02-10T11:41:19,021 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2026-02-10T11:41:19,022 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2026-02-10T11:41:19,025 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2026-02-10T11:41:19,027 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2026-02-10T11:41:19,029 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2026-02-10T11:41:19,030 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2026-02-10T11:41:19,033 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2026-02-10T11:41:19,034 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2026-02-10T11:41:19,036 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2026-02-10T11:41:19,037 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2026-02-10T11:41:19,039 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2026-02-10T11:41:19,040 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2026-02-10T11:41:19,042 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2026-02-10T11:41:19,044 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2026-02-10T11:41:19,046 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2026-02-10T11:41:19,047 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2026-02-10T11:41:19,049 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2026-02-10T11:41:19,050 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2026-02-10T11:41:19,053 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2026-02-10T11:41:19,054 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2026-02-10T11:41:19,057 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2026-02-10T11:41:19,058 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2026-02-10T11:41:19,061 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2026-02-10T11:41:19,062 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2026-02-10T11:41:19,065 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2026-02-10T11:41:19,067 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2026-02-10T11:41:19,070 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2026-02-10T11:41:19,071 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2026-02-10T11:41:19,074 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2026-02-10T11:41:19,075 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2026-02-10T11:41:19,078 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2026-02-10T11:41:19,079 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2026-02-10T11:41:19,081 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2026-02-10T11:41:19,083 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2026-02-10T11:41:19,085 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2026-02-10T11:41:19,086 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2026-02-10T11:41:19,089 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2026-02-10T11:41:19,090 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2026-02-10T11:41:19,093 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2026-02-10T11:41:19,094 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2026-02-10T11:41:19,097 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2026-02-10T11:41:19,099 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2026-02-10T11:41:19,101 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2026-02-10T11:41:19,103 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2026-02-10T11:41:19,105 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2026-02-10T11:41:19,106 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2026-02-10T11:41:19,108 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2026-02-10T11:41:19,110 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2026-02-10T11:41:19,113 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2026-02-10T11:41:19,114 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2026-02-10T11:41:19,117 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2026-02-10T11:41:19,119 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2026-02-10T11:41:19,121 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2026-02-10T11:41:19,123 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2026-02-10T11:41:19,125 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2026-02-10T11:41:19,126 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2026-02-10T11:41:19,128 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2026-02-10T11:41:19,129 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2026-02-10T11:41:19,132 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2026-02-10T11:41:19,133 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2026-02-10T11:41:19,136 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2026-02-10T11:41:19,137 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2026-02-10T11:41:19,140 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2026-02-10T11:41:19,143 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2026-02-10T11:41:19,145 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:41:19,146 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:41:19,149 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:41:19,150 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:41:19,152 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2026-02-10T11:41:19,153 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2026-02-10T11:41:19,155 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:41:19,157 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:41:19,159 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2026-02-10T11:41:19,160 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2026-02-10T11:41:19,162 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:41:19,163 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:41:19,165 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2026-02-10T11:41:19,166 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2026-02-10T11:41:19,168 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2026-02-10T11:41:19,169 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2026-02-10T11:41:19,172 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2026-02-10T11:41:19,173 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2026-02-10T11:41:19,175 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2026-02-10T11:41:19,177 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2026-02-10T11:41:19,179 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2026-02-10T11:41:19,181 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2026-02-10T11:41:19,183 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2026-02-10T11:41:19,184 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2026-02-10T11:41:19,187 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2026-02-10T11:41:19,188 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2026-02-10T11:41:19,190 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2026-02-10T11:41:19,191 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2026-02-10T11:41:19,193 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2026-02-10T11:41:19,195 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2026-02-10T11:41:19,197 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:41:19,198 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:41:19,200 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:41:19,201 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:41:19,204 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:41:19,205 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:41:19,208 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2026-02-10T11:41:19,209 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2026-02-10T11:41:19,211 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2026-02-10T11:41:19,212 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2026-02-10T11:41:19,214 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2026-02-10T11:41:19,215 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2026-02-10T11:41:19,217 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2026-02-10T11:41:19,219 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2026-02-10T11:41:19,221 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2026-02-10T11:41:19,222 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2026-02-10T11:41:19,225 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2026-02-10T11:41:19,226 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2026-02-10T11:41:19,229 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:41:19,230 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:41:19,232 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2026-02-10T11:41:19,234 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2026-02-10T11:41:19,236 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:41:19,237 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:41:19,239 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:19,241 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2026-02-10T11:41:19,244 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:19,245 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2026-02-10T11:41:19,247 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:19,248 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2026-02-10T11:41:19,251 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:19,252 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2026-02-10T11:41:19,254 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:19,255 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2026-02-10T11:41:19,257 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:19,259 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2026-02-10T11:41:19,261 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:19,263 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2026-02-10T11:41:19,266 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:19,267 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2026-02-10T11:41:19,270 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:19,271 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2026-02-10T11:41:19,273 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:19,274 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2026-02-10T11:41:19,276 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:19,277 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2026-02-10T11:41:19,280 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:19,281 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2026-02-10T11:41:19,284 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:19,285 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2026-02-10T11:41:19,288 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:19,289 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2026-02-10T11:41:19,291 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:19,293 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2026-02-10T11:41:19,295 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:19,296 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2026-02-10T11:41:19,299 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:19,300 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2026-02-10T11:41:19,302 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:19,303 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2026-02-10T11:41:19,306 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:19,307 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2026-02-10T11:41:19,309 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:19,310 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2026-02-10T11:41:19,313 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2026-02-10T11:41:19,315 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2026-02-10T11:41:19,317 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2026-02-10T11:41:19,319 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2026-02-10T11:41:19,322 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2026-02-10T11:41:19,323 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2026-02-10T11:41:19,325 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:19,327 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2026-02-10T11:41:19,329 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2026-02-10T11:41:19,330 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2026-02-10T11:41:19,332 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2026-02-10T11:41:19,333 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2026-02-10T11:41:19,336 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2026-02-10T11:41:19,338 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2026-02-10T11:41:19,340 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2026-02-10T11:41:19,341 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2026-02-10T11:41:19,344 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2026-02-10T11:41:19,345 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2026-02-10T11:41:19,347 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2026-02-10T11:41:19,348 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2026-02-10T11:41:19,350 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2026-02-10T11:41:19,351 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2026-02-10T11:41:19,353 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2026-02-10T11:41:19,355 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2026-02-10T11:41:19,357 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2026-02-10T11:41:19,358 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2026-02-10T11:41:19,361 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2026-02-10T11:41:19,362 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2026-02-10T11:41:19,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2026-02-10T11:41:19,366 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2026-02-10T11:41:19,368 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2026-02-10T11:41:19,370 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2026-02-10T11:41:19,373 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2026-02-10T11:41:19,374 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2026-02-10T11:41:19,376 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2026-02-10T11:41:19,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2026-02-10T11:41:19,380 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2026-02-10T11:41:19,381 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2026-02-10T11:41:19,383 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2026-02-10T11:41:19,384 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2026-02-10T11:41:19,387 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2026-02-10T11:41:19,388 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2026-02-10T11:41:19,390 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2026-02-10T11:41:19,391 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2026-02-10T11:41:19,393 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2026-02-10T11:41:19,394 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2026-02-10T11:41:19,397 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2026-02-10T11:41:19,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2026-02-10T11:41:19,400 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2026-02-10T11:41:19,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2026-02-10T11:41:19,405 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2026-02-10T11:41:19,406 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2026-02-10T11:41:19,409 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2026-02-10T11:41:19,410 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2026-02-10T11:41:19,413 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2026-02-10T11:41:19,415 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2026-02-10T11:41:19,418 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2026-02-10T11:41:19,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2026-02-10T11:41:19,423 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2026-02-10T11:41:19,424 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2026-02-10T11:41:19,427 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2026-02-10T11:41:19,429 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2026-02-10T11:41:19,432 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2026-02-10T11:41:19,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2026-02-10T11:41:19,437 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2026-02-10T11:41:19,438 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2026-02-10T11:41:19,441 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2026-02-10T11:41:19,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2026-02-10T11:41:19,445 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2026-02-10T11:41:19,446 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2026-02-10T11:41:19,448 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2026-02-10T11:41:19,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2026-02-10T11:41:19,453 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2026-02-10T11:41:19,455 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2026-02-10T11:41:19,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2026-02-10T11:41:19,459 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2026-02-10T11:41:19,463 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2026-02-10T11:41:19,465 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2026-02-10T11:41:19,468 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:41:19,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:41:19,472 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:41:19,474 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 2026-02-10T11:41:19,477 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2026-02-10T11:41:19,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2026-02-10T11:41:19,481 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2026-02-10T11:41:19,482 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2026-02-10T11:41:19,485 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2026-02-10T11:41:19,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2026-02-10T11:41:19,490 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2026-02-10T11:41:19,492 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2026-02-10T11:41:19,495 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2026-02-10T11:41:19,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2026-02-10T11:41:19,500 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2026-02-10T11:41:19,502 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2026-02-10T11:41:19,505 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:41:19,506 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:41:19,509 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2026-02-10T11:41:19,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2026-02-10T11:41:19,512 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2026-02-10T11:41:19,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2026-02-10T11:41:19,515 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:41:19,516 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 2026-02-10T11:41:19,518 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2026-02-10T11:41:19,520 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2026-02-10T11:41:19,522 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2026-02-10T11:41:19,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2026-02-10T11:41:19,525 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2026-02-10T11:41:19,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2026-02-10T11:41:19,529 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2026-02-10T11:41:19,530 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2026-02-10T11:41:19,533 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:19,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2026-02-10T11:41:19,537 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:19,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2026-02-10T11:41:19,541 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:19,542 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2026-02-10T11:41:19,544 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:19,545 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2026-02-10T11:41:19,548 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:19,549 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2026-02-10T11:41:19,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:19,553 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2026-02-10T11:41:19,556 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:19,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2026-02-10T11:41:19,560 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:19,562 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2026-02-10T11:41:19,564 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:19,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2026-02-10T11:41:19,567 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:19,568 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2026-02-10T11:41:19,570 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:19,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2026-02-10T11:41:19,574 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:19,575 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2026-02-10T11:41:19,578 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2026-02-10T11:41:19,580 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2026-02-10T11:41:19,583 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2026-02-10T11:41:19,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2026-02-10T11:41:19,587 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2026-02-10T11:41:19,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2026-02-10T11:41:19,590 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2026-02-10T11:41:19,591 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2026-02-10T11:41:19,594 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2026-02-10T11:41:19,595 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2026-02-10T11:41:19,597 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2026-02-10T11:41:19,598 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2026-02-10T11:41:19,600 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2026-02-10T11:41:19,602 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2026-02-10T11:41:19,604 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2026-02-10T11:41:19,605 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2026-02-10T11:41:19,608 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2026-02-10T11:41:19,609 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2026-02-10T11:41:19,612 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2026-02-10T11:41:19,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2026-02-10T11:41:19,615 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2026-02-10T11:41:19,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2026-02-10T11:41:19,620 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2026-02-10T11:41:19,621 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2026-02-10T11:41:19,623 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2026-02-10T11:41:19,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2026-02-10T11:41:19,627 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2026-02-10T11:41:19,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2026-02-10T11:41:19,630 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2026-02-10T11:41:19,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2026-02-10T11:41:19,633 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2026-02-10T11:41:19,634 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2026-02-10T11:41:19,636 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2026-02-10T11:41:19,638 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2026-02-10T11:41:19,640 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2026-02-10T11:41:19,642 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2026-02-10T11:41:19,645 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2026-02-10T11:41:19,646 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2026-02-10T11:41:19,648 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2026-02-10T11:41:19,650 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2026-02-10T11:41:19,652 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2026-02-10T11:41:19,653 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2026-02-10T11:41:19,656 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2026-02-10T11:41:19,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2026-02-10T11:41:19,661 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2026-02-10T11:41:19,662 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2026-02-10T11:41:19,664 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2026-02-10T11:41:19,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2026-02-10T11:41:19,668 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:41:19,670 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:41:19,672 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:41:19,673 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:41:19,675 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:41:19,676 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:41:19,678 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:41:19,680 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:41:19,682 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:41:19,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:41:19,686 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:41:19,688 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:41:19,690 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:41:19,692 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:41:19,695 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:41:19,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:41:19,699 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:41:19,701 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:41:19,704 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:41:19,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:41:19,708 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:41:19,709 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:41:19,712 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:41:19,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:41:19,716 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:41:19,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:41:19,722 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:41:19,723 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:41:19,725 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2026-02-10T11:41:19,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2026-02-10T11:41:19,731 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:41:19,732 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:41:19,736 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:41:19,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:41:19,742 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:41:19,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:41:19,747 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:41:19,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:41:19,750 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:41:19,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:41:19,753 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:41:19,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:41:19,758 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2026-02-10T11:41:19,759 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2026-02-10T11:41:19,761 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:41:19,763 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:41:19,765 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:41:19,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:41:19,770 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:41:19,771 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:41:19,774 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:41:19,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:41:19,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:41:19,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:41:19,782 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:41:19,784 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+ 2026-02-10T11:41:19,787 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:19,788 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2026-02-10T11:41:19,790 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:19,792 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2026-02-10T11:41:19,795 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2026-02-10T11:41:19,796 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2026-02-10T11:41:19,799 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2026-02-10T11:41:19,800 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2026-02-10T11:41:19,803 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:19,804 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2026-02-10T11:41:19,806 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:41:19,808 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+ 2026-02-10T11:41:19,810 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:41:19,812 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- 2026-02-10T11:41:19,815 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:19,816 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2026-02-10T11:41:19,819 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:41:19,820 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- 2026-02-10T11:41:19,823 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:19,824 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2026-02-10T11:41:19,826 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:41:19,827 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- 2026-02-10T11:41:19,830 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:19,832 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2026-02-10T11:41:19,834 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:19,836 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2026-02-10T11:41:19,838 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:19,840 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2026-02-10T11:41:19,842 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:19,843 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2026-02-10T11:41:19,845 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:19,847 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2026-02-10T11:41:19,850 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:41:19,851 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- 2026-02-10T11:41:19,853 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,856 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,858 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,861 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,864 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,866 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,869 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,871 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,875 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,878 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,880 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,882 copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:41:19,885 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,886 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,888 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,891 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,894 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,896 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,898 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,901 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,903 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:41:19,906 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,907 copying xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,909 copying xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,911 copying xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,914 copying xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,917 copying xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,919 copying xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,922 copying xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,924 copying xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,926 copying xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,928 copying xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,931 copying xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,934 copying xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,936 copying xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,939 copying xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,941 copying xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,943 copying xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,945 copying xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,948 copying xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,951 copying xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,954 copying xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,956 copying xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,958 copying xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,960 copying xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,963 copying xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,965 copying xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,969 copying xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,971 copying xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:41:19,973 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,974 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,977 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,979 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,981 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,984 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,986 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,989 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,991 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,994 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,996 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:19,999 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:20,001 copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:41:20,003 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,004 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,007 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,009 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,011 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,014 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,017 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,020 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,022 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,024 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,027 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,030 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,032 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,034 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,036 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,039 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,041 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,043 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,046 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,048 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,050 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,053 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,056 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,059 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,061 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,064 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,066 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,068 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,070 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,072 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,075 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,077 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,079 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,082 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,085 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,087 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,091 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,094 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,097 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,099 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,102 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,104 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,106 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,108 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,111 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,113 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,115 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,118 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,121 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,123 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,126 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,128 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,130 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,133 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,136 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,139 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,142 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,144 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,146 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,148 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,151 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,154 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,157 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,159 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,162 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,165 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,167 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,170 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,172 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,175 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,178 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,180 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,182 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,185 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,188 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,190 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,193 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,196 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,198 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,200 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,203 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,205 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,208 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,210 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,213 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,217 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,220 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,224 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,226 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,229 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,232 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,236 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,239 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,242 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,245 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,249 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,252 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,255 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,258 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,261 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,264 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,267 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,270 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,273 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,276 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,280 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,283 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,285 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,288 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,291 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,295 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,298 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,300 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,303 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,306 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,309 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,313 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,316 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,318 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,321 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,324 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,327 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,330 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,334 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,337 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,339 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,343 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,346 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,349 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,353 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,356 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,359 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,361 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,364 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,366 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,369 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,371 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,374 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,377 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,379 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,382 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,385 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,387 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,390 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,393 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,397 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,400 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,404 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,406 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,409 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,411 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,414 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,417 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,419 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,422 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,424 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,426 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,429 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,431 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,433 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,435 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,438 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,441 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,443 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,445 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,448 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,451 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,453 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,455 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,458 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,461 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,464 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,466 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,468 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,471 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,473 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,475 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,477 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,480 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,482 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,484 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,487 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,490 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,492 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,494 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,496 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,498 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,500 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,502 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,505 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,507 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,510 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,512 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,514 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,517 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,519 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,521 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,524 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,526 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,529 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,531 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,534 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,537 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,539 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,541 copying xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:41:20,544 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,545 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,548 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,550 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,553 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,555 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,557 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,559 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,561 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,563 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,566 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,568 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,571 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,573 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,575 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,577 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,580 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:41:20,582 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,584 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,587 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,589 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,592 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,594 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,597 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,599 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,601 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,604 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,607 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,609 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,612 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,614 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,617 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,619 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,622 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,624 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,627 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,629 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,632 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,635 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,637 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,639 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,642 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,645 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,647 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,649 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,652 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,655 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,658 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,661 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,664 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,667 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,669 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,671 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,673 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,675 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,678 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,680 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,682 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,684 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,687 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,689 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,691 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,693 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,695 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,698 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,700 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,702 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,704 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,706 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,709 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,711 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,713 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,715 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,717 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,719 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,722 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,724 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,726 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,729 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,731 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,734 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,736 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,738 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,740 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,742 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,744 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,746 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,748 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,750 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,753 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,755 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,757 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,760 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,762 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,765 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,767 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,770 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,772 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,774 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,777 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,779 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,781 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,783 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,786 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,788 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,791 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,793 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,795 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,797 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,799 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,801 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,803 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,806 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,808 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,810 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,812 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,815 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,817 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,819 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,821 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,824 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,826 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,829 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,832 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,834 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,837 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,839 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,842 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,844 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,847 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,850 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,853 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,856 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,859 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,862 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,864 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,866 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,869 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,872 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,875 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,878 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,881 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,884 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,886 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,889 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,891 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,893 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,896 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,899 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,902 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,905 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,908 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,911 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,913 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,916 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,919 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,921 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,924 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,927 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,929 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,932 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,934 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,937 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,940 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,942 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,944 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,947 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,949 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,952 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,955 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,958 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,961 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,963 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,966 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,968 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,970 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,973 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,975 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,977 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,980 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,983 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,985 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,988 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,990 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,993 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,996 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:20,999 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,002 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,005 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,007 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,010 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,012 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,015 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,017 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,020 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,022 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,025 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,027 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,030 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,033 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,035 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,038 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,040 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,043 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,045 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,047 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,049 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,051 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,054 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,057 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,059 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,062 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,064 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,066 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,068 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,071 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,073 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,075 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,078 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,081 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,083 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,085 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,088 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,090 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,092 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,095 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,098 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,100 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:41:21,103 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,104 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,107 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,109 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,111 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,113 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,116 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,119 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,121 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,124 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,127 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,130 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,133 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,137 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,140 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,143 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,146 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,149 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,152 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,156 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,159 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,162 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,165 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,168 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,171 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,174 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,178 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,181 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,184 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,186 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,190 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,193 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,196 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,199 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,202 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,205 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,208 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,212 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,215 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,217 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,220 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,223 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,225 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,227 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,230 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,232 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,234 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,237 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,239 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,242 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,244 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,247 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,249 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,251 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,253 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,255 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,258 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,260 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,263 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,265 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,268 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,271 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,274 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,276 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,278 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,281 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,284 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,287 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,289 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,292 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,295 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,298 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,300 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,302 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,305 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,307 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,310 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,312 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,314 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,317 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,319 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,322 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,324 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,327 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,330 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,333 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,335 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,338 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,341 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,343 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,345 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,348 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,350 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,352 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,354 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,356 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,359 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,361 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,364 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,367 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,369 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,372 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,375 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,377 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,379 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,381 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,384 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,386 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,389 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,392 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,394 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,397 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,400 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,402 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,404 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,407 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,409 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,411 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,414 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,416 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,418 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,420 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,423 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,425 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,428 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,431 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,434 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,437 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,439 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,442 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,445 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,448 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,450 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,452 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,455 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,457 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,459 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,462 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,464 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,466 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,469 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,471 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,473 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,476 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,478 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,481 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,483 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,486 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,488 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,491 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,494 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,496 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,499 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,501 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,503 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,506 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,508 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,511 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,513 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,515 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,517 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,519 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,521 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,524 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,527 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,529 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,532 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,534 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,536 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,539 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,541 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,543 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,546 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,548 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,550 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,553 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,555 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,557 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,560 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,563 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,565 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,567 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,570 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,572 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,574 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,576 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,578 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,580 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,582 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,585 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,587 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,589 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,591 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,593 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,596 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,598 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,601 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,603 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,605 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,608 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,610 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,612 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,614 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,617 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,619 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,621 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,623 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,625 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,628 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,630 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,633 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,635 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,637 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,640 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,642 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,644 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,646 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,648 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,650 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,653 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,655 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,657 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,659 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,661 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,664 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,666 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,668 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,670 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,672 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,674 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,677 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,679 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,682 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,685 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,688 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,691 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,694 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,697 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,700 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,703 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,706 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,709 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,711 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,713 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,716 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,718 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,721 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,723 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,726 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,729 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,731 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,733 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,736 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,738 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,740 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,743 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,745 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,748 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,750 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,753 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,755 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,758 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,761 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,764 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,766 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,769 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,772 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,775 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,777 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,780 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,782 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,784 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,787 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,790 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,793 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,796 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,799 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,802 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,804 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,807 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,810 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,812 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,814 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,817 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,819 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,822 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,824 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,826 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,828 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,831 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,833 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,835 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,838 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,841 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,843 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,845 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,848 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,850 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,852 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,854 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,857 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,859 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,861 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,863 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,866 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,868 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,871 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,874 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,876 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,878 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,881 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,884 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,886 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,888 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,891 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,893 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,896 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,898 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,901 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,903 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,906 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,908 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,910 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,913 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,915 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,918 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,921 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,923 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,925 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,928 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,931 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,934 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,937 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,940 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,942 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,944 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,947 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,949 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,951 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,953 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,956 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,959 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,961 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,964 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,967 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,970 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,973 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,976 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,978 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,980 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,983 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,985 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,988 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,990 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,992 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,994 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,997 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:21,999 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,002 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,004 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,006 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,009 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,011 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,014 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,017 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,020 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,022 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,025 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,027 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,030 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,033 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,035 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,037 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,039 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,041 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,043 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,046 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,048 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,051 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,053 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,056 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,059 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,062 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,065 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,067 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,069 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,072 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,074 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,077 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,080 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,082 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,084 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,087 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,089 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,091 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,093 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,096 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,098 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,101 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,103 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,109 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,112 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,115 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,118 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,121 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,123 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,126 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,129 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,131 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,133 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,135 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,138 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,140 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,143 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,146 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,149 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,152 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,155 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,158 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,161 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,163 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,166 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,169 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,172 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,174 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,176 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,179 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,181 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,183 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,185 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,188 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,190 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,193 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,196 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,199 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,201 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,204 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,207 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,209 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,212 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,214 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,216 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,219 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,221 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,223 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,225 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,227 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,230 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,232 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,235 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,237 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,239 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,241 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,243 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,246 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,248 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,250 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,252 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,255 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,257 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,260 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,263 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,265 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,267 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,270 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,273 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,276 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,279 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,282 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,285 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,288 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,291 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,293 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,296 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,298 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,300 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,302 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,305 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,307 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,310 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,313 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,315 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,318 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,320 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,323 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,326 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,328 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,330 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,332 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,335 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,337 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,339 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,341 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,344 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,346 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,348 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,350 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,353 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,355 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,357 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,359 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,361 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,363 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,365 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,368 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,370 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,372 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,374 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,377 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,379 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,381 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,383 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,386 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,388 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,390 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,392 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,394 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,397 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,399 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,402 copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:41:22,404 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,405 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,407 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,409 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,411 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,414 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,416 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,418 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,420 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,422 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,424 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,426 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,428 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,430 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,433 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,435 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,437 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,439 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,441 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,443 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,446 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,448 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,450 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,452 copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,455 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,457 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,460 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,462 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,464 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,466 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,468 copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,471 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,474 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,476 copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,479 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,481 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,484 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,486 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,489 copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,492 copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,494 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,496 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,498 copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,501 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,503 copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,505 copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,508 copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,510 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,512 copying xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,515 copying xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,517 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,519 copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,521 copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,524 copying xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,526 copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,528 copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,531 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,533 copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,535 copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,537 copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,539 copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:41:22,541 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,543 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,545 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,547 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,549 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,551 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,553 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,555 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,557 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,560 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,562 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,564 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,566 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,569 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,571 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,573 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,575 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,578 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,580 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,582 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,584 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,587 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,589 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,592 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,595 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,597 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,600 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,603 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,605 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,607 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,610 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,612 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,614 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,616 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,619 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,621 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,624 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,626 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,628 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,630 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,633 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,635 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,638 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,641 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,644 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,647 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,651 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,654 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,657 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,659 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,662 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,665 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,668 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,670 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,672 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,674 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,676 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,679 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,681 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,683 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,686 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,688 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,691 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,693 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,695 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,698 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,700 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,702 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,705 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,707 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,710 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,713 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,715 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,718 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,720 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,723 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,726 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,728 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,731 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,733 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,735 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,738 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,741 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,743 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,745 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,748 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,751 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,754 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,756 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,758 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,760 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,763 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,765 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,767 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,769 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,772 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,774 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,776 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,779 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,781 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,784 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,786 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,788 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,790 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,793 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,795 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,797 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,799 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,801 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,804 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,806 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,809 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,811 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,814 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,817 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,820 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,822 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,824 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,827 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,829 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,831 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,833 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,835 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,838 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,840 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,842 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,844 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,846 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,849 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,851 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,853 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,856 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,858 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,861 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,863 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,865 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,868 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,870 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,872 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,874 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,877 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,879 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,882 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,884 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,886 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,888 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,891 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,893 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,895 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,898 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,902 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,904 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,906 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,909 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,911 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,913 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,916 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,919 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,922 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,925 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,927 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,929 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,932 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,935 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,937 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,939 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,942 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,945 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,947 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,950 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,952 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,954 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,956 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,959 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,961 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,964 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,966 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,969 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,971 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,973 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,975 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,978 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,980 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,982 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,984 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,986 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,988 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,991 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,993 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,996 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:22,998 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,001 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,005 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,008 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,011 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,014 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,017 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,020 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,023 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,026 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,029 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,032 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,035 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,038 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,041 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,044 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,046 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,048 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,051 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,053 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,055 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,058 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,061 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,063 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,066 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,069 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,071 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,073 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,076 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,079 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,081 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,083 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,086 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,088 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,090 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,093 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,096 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,098 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,101 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,104 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,106 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,108 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,111 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,113 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,116 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,119 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,121 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,123 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,126 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,128 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,130 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,132 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,134 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,137 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,139 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,141 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,143 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,146 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,148 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,150 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,152 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,155 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,157 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,160 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,162 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,164 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,166 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,169 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,171 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,173 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,175 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,178 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,180 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,182 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,185 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,187 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,189 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,192 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,194 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,196 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,199 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,202 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,205 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,207 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,210 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,213 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,216 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,219 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,222 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,225 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,228 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,230 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,234 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,236 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,239 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,242 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,245 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,248 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,251 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,254 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,257 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,260 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,262 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,264 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,267 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,271 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,274 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,277 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,279 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,282 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,284 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,286 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,289 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,291 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,294 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,297 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,300 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,302 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,305 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,307 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,310 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,313 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,315 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,318 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,321 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,323 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,326 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,328 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,331 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,334 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,336 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,339 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,342 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,345 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,347 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,350 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,353 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,355 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,358 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,361 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,363 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,366 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,368 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,370 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,373 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,376 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,378 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,380 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,382 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,385 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,388 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,391 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,394 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,397 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,400 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,404 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,407 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,409 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,412 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,414 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,416 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,419 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,422 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,425 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,427 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,429 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,432 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,434 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,437 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,440 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,443 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,446 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,448 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,450 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,452 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,455 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,458 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,460 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,463 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,465 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,468 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,471 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,473 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,476 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,478 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,481 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,484 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,487 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,489 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,492 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,494 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,497 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,499 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,501 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,504 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,507 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,510 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,512 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,514 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,516 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,518 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,521 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,524 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,526 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,529 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,531 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,533 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,536 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,538 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,541 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,543 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,546 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,548 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,551 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,554 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,556 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,558 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,561 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,563 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,566 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,568 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,571 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,573 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,576 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,578 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,580 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,583 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,585 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,587 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,590 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,592 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,595 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,598 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,600 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,602 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,604 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,607 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,610 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,613 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,616 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,618 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,620 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,622 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,625 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,627 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,629 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,632 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,634 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,637 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,640 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,643 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,645 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,647 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,650 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,652 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,654 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,657 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,660 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,663 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,665 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,668 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,671 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,673 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,675 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,677 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,681 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,683 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,686 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,689 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,691 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,694 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,697 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,699 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,701 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,703 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,706 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,708 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,711 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,714 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,716 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,719 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,721 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,723 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,726 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,729 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,732 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,734 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,737 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,739 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,741 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,744 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,746 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,749 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,751 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,754 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,757 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,759 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,761 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,763 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,766 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,768 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,770 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,772 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,775 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,777 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,780 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,782 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,785 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,787 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,790 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,792 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,794 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,797 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,799 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,801 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,804 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,806 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,808 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,811 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,813 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,815 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,818 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,820 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,822 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,824 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,827 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,829 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,831 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,833 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,835 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,838 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,840 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,842 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,844 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,847 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,849 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,851 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,853 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,856 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,858 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,860 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,862 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,864 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,866 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,869 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,871 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,873 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,876 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,878 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,880 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,882 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,885 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,887 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,889 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,891 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,894 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,896 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,898 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,901 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,903 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,905 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,908 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,910 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,913 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,916 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,918 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,922 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,924 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,927 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,930 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,934 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,938 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,941 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,944 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,948 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,951 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,955 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,958 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,961 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,965 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,968 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,972 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,975 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,979 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,982 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,986 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,990 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,993 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,996 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:23,999 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,002 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,006 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,009 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,012 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,015 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,017 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,020 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,024 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,027 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,031 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,034 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,038 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,040 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,043 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,045 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,048 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,050 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,053 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,057 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,060 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,063 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,065 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,068 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,071 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,074 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,077 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,080 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,082 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,085 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,088 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,091 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,094 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,097 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,099 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,102 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,105 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,108 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,111 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,114 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,117 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,120 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,124 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,127 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,130 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,132 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,135 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,138 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,140 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,142 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,145 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,147 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,149 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,151 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,154 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,157 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,159 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,162 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,165 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,167 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,170 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,172 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,175 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,177 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,179 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,181 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,184 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,186 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,188 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,190 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,193 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,196 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,199 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,201 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,204 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,207 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,209 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,211 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,214 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,216 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,218 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,221 copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:41:24,223 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,224 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,227 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,230 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,232 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,235 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,237 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,240 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,242 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,244 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,247 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,250 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,253 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,256 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,258 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,261 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,263 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,266 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,268 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,271 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,274 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,277 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,279 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,282 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,285 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,288 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,290 copying xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:41:24,293 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,294 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,297 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,300 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,302 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,304 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,306 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,308 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,310 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,313 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,315 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,318 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,321 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,324 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,326 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,329 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,332 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,335 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,337 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,339 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,342 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,345 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,348 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,350 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,352 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,355 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,358 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,360 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,363 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,365 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,368 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,370 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,373 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,375 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,377 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,379 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,381 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,384 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,386 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,388 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,391 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,393 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,395 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,398 copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:41:24,400 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,401 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,403 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,405 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,407 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,410 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,412 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,414 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,416 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,419 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,421 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,423 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,425 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,427 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,429 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,431 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,433 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,435 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,437 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,440 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,442 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,444 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,446 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,448 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,451 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,453 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,455 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,457 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,460 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,462 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,465 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,467 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,469 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,471 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,473 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,475 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,478 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,481 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,484 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,487 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,490 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,493 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,495 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,497 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,500 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,502 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,505 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,507 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,510 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,514 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,517 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,521 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,523 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,526 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,528 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,531 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,533 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,535 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,538 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,541 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,544 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,546 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,548 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,551 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,554 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,557 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,560 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,562 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,564 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,567 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,569 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,571 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,574 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,576 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,578 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,581 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,583 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,586 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,588 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,590 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,593 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,596 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,599 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,602 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,605 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,608 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,610 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,612 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,614 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,617 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,619 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,621 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,624 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,627 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,630 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,633 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,635 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,638 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,640 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,642 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,645 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,647 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,649 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,652 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,654 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,657 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,660 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,662 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,664 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,667 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,670 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,672 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,674 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,677 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,680 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,683 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,685 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,688 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,690 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,693 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,695 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,698 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,700 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,703 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,706 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,708 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,711 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,713 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,716 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,719 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,721 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,724 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,726 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,728 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,731 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,733 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,736 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,738 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,741 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,744 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,747 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,749 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,752 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,754 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,756 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,759 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,761 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,764 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,767 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,769 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,772 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,774 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,776 copying xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:41:24,779 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,780 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,783 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,785 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,787 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,790 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,793 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,795 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,798 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,800 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,803 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,806 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,808 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,811 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,813 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,816 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,819 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,822 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,825 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,827 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,830 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,832 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,834 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,837 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,839 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,842 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,845 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,848 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,850 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,852 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,854 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,857 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,860 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,863 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,866 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,869 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,872 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,874 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,877 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,879 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,881 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,884 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,887 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,889 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,891 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,894 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,897 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,900 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,903 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,906 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,909 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,911 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,914 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,916 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,918 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,920 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,923 copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:41:24,925 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,926 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,928 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,931 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,933 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,936 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,939 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,941 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,943 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,945 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,948 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,950 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,952 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,955 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,957 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,960 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,962 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,964 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,967 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,969 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,971 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,973 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,975 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,977 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,980 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,982 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,984 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,986 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,989 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,991 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,994 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:24,997 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,000 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,002 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,005 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,007 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,010 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,012 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,015 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,018 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,021 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,023 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,026 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,029 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,032 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,034 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,036 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,039 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,041 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,044 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,046 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,049 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,051 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,054 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,056 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,059 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,061 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,063 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,066 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,068 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,071 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,073 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,075 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,077 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,079 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,082 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,084 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,086 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,089 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,091 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,094 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,096 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,099 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,102 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,105 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,108 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,110 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,112 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,114 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,117 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,119 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,122 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,125 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,128 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,130 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,133 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,136 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,139 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,141 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,144 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,146 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,148 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,151 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,153 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,155 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,158 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,160 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,163 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,165 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,167 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,169 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,171 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,174 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,176 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,178 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,180 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,183 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,185 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,187 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,190 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,192 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,194 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,196 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,199 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,201 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,203 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,205 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,207 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,210 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,212 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,214 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,217 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,219 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,221 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,223 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,225 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,228 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,231 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,233 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,235 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,237 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,239 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,242 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,244 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,246 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,248 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,251 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,254 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,257 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,260 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,264 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,267 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,270 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,272 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,274 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,277 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,280 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,282 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,285 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,288 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,291 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,294 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,297 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,300 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,303 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,305 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,308 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,311 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,314 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,317 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,320 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,323 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,325 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,327 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,330 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,333 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,336 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,339 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,342 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,345 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,347 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,349 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,352 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,354 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,356 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,358 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,360 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,363 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,365 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,367 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,370 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,372 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,374 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,376 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,379 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,382 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,384 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,387 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,390 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,392 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,395 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,397 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,400 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,402 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,404 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,406 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,409 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,412 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,414 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,417 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,419 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,422 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,425 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,428 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,431 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,433 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,436 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,438 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,440 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,442 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,445 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,448 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,451 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,453 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,456 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,458 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,461 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,463 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,466 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,468 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,471 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,473 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,475 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,478 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,480 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,482 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,484 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,486 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,489 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,492 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,494 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,497 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,499 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,502 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,504 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,507 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,509 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,512 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,514 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,516 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,519 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,522 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,524 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,526 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,529 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,531 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,533 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,535 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,538 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,541 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,544 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,546 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,549 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,551 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,553 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,556 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,558 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,561 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,563 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,567 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,569 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,572 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,574 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,576 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,579 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,581 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,583 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,585 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,588 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,591 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,593 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,596 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,599 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,602 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,605 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,608 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,610 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:41:25,612 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,614 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,616 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,618 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,620 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,623 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,626 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,629 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,632 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,635 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,637 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,641 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,643 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,646 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,649 copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:41:25,652 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,654 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,657 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,660 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,663 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,667 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,670 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,673 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,676 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,678 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,681 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,685 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,688 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,691 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,694 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,697 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,700 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,704 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,707 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,711 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,716 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,722 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,726 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,730 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,733 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,736 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,739 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,743 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,745 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,749 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,752 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,754 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,757 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,760 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,763 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,766 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,768 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,771 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,774 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,776 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,778 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,781 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,783 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,786 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,788 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,791 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,794 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,797 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,800 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,803 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,806 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,808 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,811 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,813 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,816 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,818 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,821 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,823 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,826 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,828 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,831 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,834 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,836 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,839 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,842 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,844 copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:41:25,846 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,847 copying xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,850 copying xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,852 copying xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,855 copying xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,858 copying xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,860 copying xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,863 copying xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,866 copying xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,869 copying xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,871 copying xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,873 copying xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,876 copying xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,878 copying xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,880 copying xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,883 copying xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,885 copying xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,888 copying xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,891 copying xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:41:25,894 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,896 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,899 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,902 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,905 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,914 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,922 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,924 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,926 copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:41:25,928 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,930 copying xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,933 copying xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,936 copying xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,939 copying xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,942 copying xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,945 copying xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,948 copying xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,951 copying xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,953 copying xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,956 copying xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,958 copying xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,961 copying xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,964 copying xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,966 copying xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,969 copying xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,972 copying xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,974 copying xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,977 copying xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,979 copying xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,981 copying xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,984 copying xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:41:25,986 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,988 copying xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,991 copying xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,994 copying xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,997 copying xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:25,999 copying xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:26,002 copying xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:26,004 copying xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:26,006 copying xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:41:26,008 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,010 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,012 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,015 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,017 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,020 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,022 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,025 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,028 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,030 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,033 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,035 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,038 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,040 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,042 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,045 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,047 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,049 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,051 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,053 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,055 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,058 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,060 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,062 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,064 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,066 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,069 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,071 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,074 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,077 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,079 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,081 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,083 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,085 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,087 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,090 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,092 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,094 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,096 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,098 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,100 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,103 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,106 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,109 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,111 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,114 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,116 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,118 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,120 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,122 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,125 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,127 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,130 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,132 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,134 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,138 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,141 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,143 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,145 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,147 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,150 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,152 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,155 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,158 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,161 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,163 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,166 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,169 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,172 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,175 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,178 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,181 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,184 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,187 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,189 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,192 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,195 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,198 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,201 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,203 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,206 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,208 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,211 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,214 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,217 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,220 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,222 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,225 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,227 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,229 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,231 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,234 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,236 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,238 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,241 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,244 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,246 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,249 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,251 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,253 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,255 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,257 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,260 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,262 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,264 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,266 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,269 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,271 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,273 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,276 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,279 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,281 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,283 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,285 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,287 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,290 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,292 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,295 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,302 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,305 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,308 copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:41:26,310 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,312 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,314 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,316 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,319 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,321 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,323 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,325 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,327 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,329 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,331 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,334 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,336 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,338 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,341 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,343 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,345 copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,347 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,350 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,352 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,355 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,357 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,360 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,362 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,365 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,367 copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,369 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,372 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,374 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,376 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,378 copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,381 copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,383 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,385 copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,388 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,391 copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,393 copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,396 copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,398 copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,401 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,403 copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,406 copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,408 copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,411 copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,413 copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,416 copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:41:26,418 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,419 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,422 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,424 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,427 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,429 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,431 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,433 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,436 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,439 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,441 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,444 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,446 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,449 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,451 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,453 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,455 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,457 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,460 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,462 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,464 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,467 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,469 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,472 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,474 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,476 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,479 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,481 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,484 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,486 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,489 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,491 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,493 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,496 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,499 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,502 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,504 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,506 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,508 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,510 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,513 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,515 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,518 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,521 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,523 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,526 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,529 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,532 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,534 copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:41:26,536 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,538 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,540 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,543 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,545 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,547 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,549 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,552 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,554 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,557 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,560 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,562 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,564 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,567 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,569 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,572 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,574 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,576 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,579 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,581 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,583 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,585 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,588 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,591 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,594 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,596 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,598 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,600 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,603 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,606 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,609 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,612 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,615 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,618 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,620 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,623 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,625 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,627 copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:41:26,630 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,631 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,634 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,636 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,639 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,641 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,644 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,647 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,651 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,653 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,656 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,658 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,661 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,664 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,667 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,670 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,673 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,675 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,677 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,680 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,682 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,684 copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:41:26,686 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,687 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,691 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,694 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,697 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,700 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,702 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,704 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,706 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,708 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,711 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,713 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,716 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,719 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,722 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,725 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,727 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,729 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,731 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,734 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,736 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,738 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,741 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,743 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,746 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,749 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,751 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,754 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,756 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,759 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,761 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,763 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,766 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,768 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,771 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,774 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,777 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,779 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,782 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,784 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,786 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,789 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,792 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,795 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,798 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,800 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,803 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,805 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,808 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,810 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,812 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,814 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,816 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,819 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,821 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,824 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,826 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,829 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,831 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,833 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,836 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,838 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,841 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,844 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,846 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,849 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,851 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,854 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,856 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,859 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,861 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,863 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,865 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,867 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,870 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,872 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,875 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,877 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,880 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,882 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,885 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,888 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,890 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,893 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,895 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,898 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,901 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,903 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,905 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,908 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,910 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,912 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,915 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,918 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,921 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,924 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,927 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,929 copying xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:41:26,931 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,932 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,935 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,937 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,940 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,942 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,945 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,948 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,951 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,954 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,957 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,960 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,962 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,964 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,967 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,970 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,973 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,975 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,978 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,981 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,984 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,987 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,990 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,993 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,996 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:26,999 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,002 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,005 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,008 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,011 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,013 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,016 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,019 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,022 copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:41:27,025 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,026 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,029 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,032 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,035 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,037 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,039 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,042 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,044 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,046 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,048 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,050 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,053 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,055 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,058 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,060 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,062 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,065 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,067 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,070 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,072 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,074 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,076 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,078 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,081 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,082 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,085 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,087 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,089 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,091 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,093 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,095 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,097 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,100 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,102 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,105 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,108 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,111 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,113 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,115 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,117 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,119 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,122 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,124 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,126 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,128 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,131 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,133 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,136 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,138 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,141 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,144 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,146 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,149 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,152 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,155 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,158 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,161 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,164 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,167 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,170 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,173 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,176 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,179 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,182 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,185 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,188 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,191 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,194 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,197 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,199 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,202 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,204 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,207 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,209 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,212 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,214 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,216 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,219 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,222 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,225 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,228 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,230 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,233 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,235 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,238 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,240 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,242 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,244 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,247 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,250 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,253 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,256 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,259 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,261 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,264 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,267 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,269 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,271 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,274 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,276 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,278 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,281 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,284 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,286 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,289 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,291 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,294 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,297 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,300 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,302 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,304 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,307 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,310 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,313 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,316 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,318 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,320 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,323 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,326 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,329 copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:41:27,331 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,332 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,334 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,337 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,340 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,343 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,345 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,348 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,350 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,352 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,354 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,357 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,359 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,362 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,365 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,368 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,370 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,373 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,376 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,378 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,381 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,384 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,386 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,389 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,392 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,394 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,396 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,399 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,402 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,404 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,407 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,409 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,412 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,414 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,416 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,419 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,422 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,425 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,428 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,431 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,434 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,437 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,439 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,441 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,444 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,446 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,448 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,450 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,452 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,455 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,457 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,459 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,462 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,465 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,468 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,470 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,473 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,475 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,477 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,480 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,482 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,484 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,486 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,489 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,492 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,495 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,497 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,500 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,503 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,505 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,507 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,510 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,512 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,515 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,518 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,520 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,522 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,525 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,528 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,531 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,533 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,536 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,539 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,542 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,545 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,548 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,551 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,553 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,555 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,558 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,561 copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:41:27,563 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:27,565 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:27,568 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:27,571 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:27,574 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:27,576 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:41:27,578 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,579 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,582 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,584 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,586 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,589 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,591 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,593 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,595 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,598 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,600 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,602 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,605 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,608 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,610 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,613 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,616 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,619 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,622 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,625 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,628 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,630 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,633 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,635 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,637 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,639 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,642 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,645 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,647 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,649 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,652 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,654 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,656 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,659 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,662 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,664 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,666 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,668 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,670 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,672 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,675 copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:41:27,677 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,678 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,681 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,684 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,686 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,689 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,691 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,693 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,696 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,698 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,700 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,703 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,705 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,708 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,710 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,713 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,715 copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:41:27,717 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,718 copying xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,721 copying xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,723 copying xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,725 copying xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,727 copying xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,730 copying xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,733 copying xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,736 copying xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,739 copying xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,741 copying xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,744 copying xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,747 copying xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,749 copying xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,752 copying xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,754 copying xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,756 copying xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,758 copying xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,760 copying xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,763 copying xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,765 copying xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,768 copying xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,770 copying xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,772 copying xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,775 copying xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,778 copying xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,780 copying xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:41:27,782 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,784 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,786 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,789 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,791 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,793 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,796 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,798 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,800 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,802 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,805 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,807 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,809 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,812 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,815 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,817 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,820 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,822 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,825 copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,827 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,830 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,833 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,836 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,839 copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,841 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,844 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,847 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,849 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,852 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,855 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,858 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,861 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,864 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,867 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,870 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,872 copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,874 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,876 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,879 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,881 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,883 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,886 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,889 copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,891 copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,894 copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,896 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,899 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,901 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,903 copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,906 copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,908 copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,910 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,912 copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,915 copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,917 copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,919 copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,922 copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,924 copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,927 copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,929 copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,932 copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,934 copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,936 copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,939 copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:41:27,941 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,942 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,944 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,946 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,949 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,951 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,953 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,956 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,958 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,961 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,964 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,966 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,970 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,973 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,975 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,977 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,979 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,982 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,984 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,986 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,988 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,991 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,994 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:27,997 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,000 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,002 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,004 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,006 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,008 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,010 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,013 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,016 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,018 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,021 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,024 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,027 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,030 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,033 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,036 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,038 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,041 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,043 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,045 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,047 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,050 copying xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:41:28,052 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:28,053 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:28,056 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:28,059 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:28,061 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:41:28,063 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,065 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,067 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,069 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,072 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,074 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,076 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,079 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,081 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,084 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,087 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,089 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,091 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,094 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,096 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,098 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,101 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,104 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,106 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,108 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,111 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,113 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,116 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,119 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,121 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,123 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,125 copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,127 copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,130 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,133 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,135 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,138 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,141 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,143 copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,146 copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,149 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,154 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,157 copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,160 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,163 copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,166 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,169 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,172 copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,175 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,178 copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,181 copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,184 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,187 copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,190 copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,193 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,196 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,200 copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,203 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,206 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,208 copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,211 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,214 copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,217 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,220 copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,222 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,225 copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,227 copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,230 copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,232 copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,235 copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,237 copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,239 copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:41:28,242 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,243 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,245 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,247 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,249 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,252 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,254 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,256 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,258 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,261 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,263 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,266 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,269 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,271 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,273 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,276 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,278 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,280 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,282 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,284 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,286 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,288 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,290 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,293 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,295 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,298 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,300 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,302 copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,305 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,307 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,309 copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,312 copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,314 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,316 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,319 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,321 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,323 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,326 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,328 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,331 copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,333 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,336 copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,338 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,341 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,343 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,345 copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,347 copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,349 copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,351 copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,353 copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,355 copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,357 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,359 copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,362 copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,365 copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,368 copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,370 copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,372 copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,374 copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,376 copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,379 copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:41:28,381 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,382 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,385 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,387 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,389 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,391 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,394 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,396 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,399 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,402 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,405 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,408 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,411 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,414 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,416 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,418 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,420 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,422 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,425 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,427 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,429 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,432 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,434 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,436 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,438 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,440 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,443 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,445 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,448 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,450 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,453 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,455 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,458 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,461 copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,464 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,467 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,469 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,472 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,474 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,476 copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,478 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,480 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,483 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,485 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,487 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,489 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,491 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,493 copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,495 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,497 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,499 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,502 copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,504 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,506 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,508 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,511 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,513 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,515 copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,517 copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,519 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,521 copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,523 copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,526 copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,528 copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,530 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,532 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,534 copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,536 copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,539 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,541 copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,543 copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,545 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,548 copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,550 copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,552 copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,554 copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,556 copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,559 copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,561 copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,563 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,565 copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,568 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,570 copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,572 copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,575 copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,577 copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,579 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,582 copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,584 copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,586 copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,588 copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:41:28,590 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,591 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,593 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,595 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,598 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,600 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,602 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,605 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,608 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,611 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,614 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,617 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,620 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,622 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,625 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,628 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,630 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,633 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,635 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,637 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,640 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,642 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,644 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,647 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,649 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,651 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,653 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,655 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,658 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,661 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,664 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,666 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,668 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,670 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,672 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,675 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,678 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,680 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,683 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,685 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,688 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,690 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,693 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,695 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,697 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,699 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,702 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,704 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,706 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,708 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,711 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,713 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,715 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,717 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,719 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,721 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,723 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,725 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,727 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,730 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,732 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,734 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,736 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,739 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,741 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,743 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,745 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,747 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,749 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,751 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,754 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,757 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,759 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,762 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,765 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,767 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,769 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,771 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,774 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,776 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,779 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,782 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,785 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,788 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,791 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,794 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,797 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,800 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,802 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,804 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,807 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,809 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,811 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,813 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,816 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,818 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,821 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,824 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,827 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,830 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,833 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,835 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,837 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,839 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,841 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,843 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,845 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,847 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,850 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,852 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,855 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,858 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,860 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,863 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,865 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,867 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,870 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,872 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,875 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,877 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,879 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,882 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,884 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,886 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,889 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,891 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,894 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,896 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,898 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,900 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,902 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,904 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,907 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,910 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,912 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,915 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,918 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,921 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,923 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,926 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,928 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,931 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,933 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,936 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,938 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,940 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,943 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,945 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,947 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,949 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,952 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,954 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,956 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,958 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,961 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,963 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,965 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,967 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,969 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,972 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,974 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,977 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,980 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,982 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,984 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,986 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,989 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,991 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,993 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,995 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:28,998 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,000 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,003 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,006 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,009 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,011 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,013 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,015 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,017 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,020 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,022 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,025 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,028 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,031 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,033 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,035 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,038 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,040 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,043 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,045 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,047 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,049 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,052 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,054 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,057 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,061 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,063 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,066 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,069 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,071 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,074 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,077 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,079 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,082 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,084 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,087 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,089 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,091 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,094 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,096 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,098 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,100 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,102 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,104 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,106 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,109 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,111 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,113 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,116 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,118 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,120 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,122 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,125 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,128 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,130 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,132 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,134 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,136 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,139 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,141 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,143 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,145 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,147 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,149 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,151 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,153 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,156 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,158 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,160 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,162 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,164 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,167 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,169 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,171 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,173 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,175 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,178 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,180 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,183 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,185 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,187 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,189 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,192 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,194 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,196 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,198 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,201 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,203 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,205 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,208 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,210 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,212 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,214 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,216 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,219 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,221 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,223 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,225 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,228 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,231 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,233 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,236 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,239 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,241 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,244 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,247 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,250 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,253 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,255 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,257 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,259 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,262 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,264 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,267 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,270 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,273 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,276 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,279 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,282 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,284 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,286 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,289 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,291 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,294 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,297 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,299 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,302 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,304 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,307 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,311 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,314 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,318 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,320 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,323 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,326 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,328 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,330 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,333 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,335 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,337 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,340 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,343 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,346 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,348 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,351 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,355 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,358 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,361 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,363 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,365 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,367 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,370 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,372 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,374 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,377 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,380 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,382 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,384 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,387 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,389 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,392 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,394 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,397 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,400 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,403 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,406 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,408 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,411 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,413 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,415 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,418 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,420 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,422 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,425 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,427 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,429 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,432 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,435 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,438 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,441 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,443 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,446 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,448 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,451 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,453 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,455 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,457 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,459 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,461 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,464 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,466 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,468 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,471 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,473 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,476 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,479 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,481 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,484 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,486 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,489 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,491 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,493 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,496 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,499 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,501 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,504 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,507 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,509 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,512 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,515 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,517 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,520 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,522 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,524 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,527 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,530 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,532 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,535 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,538 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,540 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,543 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,545 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,548 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,550 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,553 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,556 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,559 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,561 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,564 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,566 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,568 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,570 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,573 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,575 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,577 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,580 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,582 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,584 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,587 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,589 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,591 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,593 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,596 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,598 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,600 copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:41:29,603 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:29,604 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:29,608 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:29,611 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:29,613 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:29,616 copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:41:29,618 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,620 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,623 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,625 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,628 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,631 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,634 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,636 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,638 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,640 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,643 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,646 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,649 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,651 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,654 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,657 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,659 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,661 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,663 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,666 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,668 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,670 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,672 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,675 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,677 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,680 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,682 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,684 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,687 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,689 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,692 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,694 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,696 copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:41:29,698 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,700 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,703 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,705 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,708 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,711 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,714 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,717 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,719 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,721 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,723 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,725 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,727 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,730 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,732 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,734 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,736 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,739 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,741 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,744 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,746 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,748 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,751 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,753 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,755 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,757 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,759 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,762 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,764 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,766 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,768 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,771 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,773 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,775 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,778 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,781 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,784 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,786 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,788 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,790 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,792 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,795 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,797 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,799 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,801 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,804 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,806 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,808 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,810 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,813 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,815 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,817 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,819 copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:41:29,821 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,822 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,825 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,827 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,829 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,831 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,833 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,835 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,838 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,840 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,842 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,844 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,846 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,849 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,852 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,854 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,857 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,860 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,863 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,866 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,869 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,872 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,875 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,877 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,879 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,881 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,883 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,886 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,889 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,892 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,894 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,897 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,899 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,902 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,905 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,907 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,910 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,913 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,915 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,918 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,920 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,923 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,925 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,928 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,931 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,933 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,935 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,937 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,940 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,943 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,946 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,949 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,952 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,955 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,957 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,960 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,963 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,965 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,968 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,971 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,974 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,977 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,980 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,983 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,986 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,988 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,990 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,993 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,995 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:29,998 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,001 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,003 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,006 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,008 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,011 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,014 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,016 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,018 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,020 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,022 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,024 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,026 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,029 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,031 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,033 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,035 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,038 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,040 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,042 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,044 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,046 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,049 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,051 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,054 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,056 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,059 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,061 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,063 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,066 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,068 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,071 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,073 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,076 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,078 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,080 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,082 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,084 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,087 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,090 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,093 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,095 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,097 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,100 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,103 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,105 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,108 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,111 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,114 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,116 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,119 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,121 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,124 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,126 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,129 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,132 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,135 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,137 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,139 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,141 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,143 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,146 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,149 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,152 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,154 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,157 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,160 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,163 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,165 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,168 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,171 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,174 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,177 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,179 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,182 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,184 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,187 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,189 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,191 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,194 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,196 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,199 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,202 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,204 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,207 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,209 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,211 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,214 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,216 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,219 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,221 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,224 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,226 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,229 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,231 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,234 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,236 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,238 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,241 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,243 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,245 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,248 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,250 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,253 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,256 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,259 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,261 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,263 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,265 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,269 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,271 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,274 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,277 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,280 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,283 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,286 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,289 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,291 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,293 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,296 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,298 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,301 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,304 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,306 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,309 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,311 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,314 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,317 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,320 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,323 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,326 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,329 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,332 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,334 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,337 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,340 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,342 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,345 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,348 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,350 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,353 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,356 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,358 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,360 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,363 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,366 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,368 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,370 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,374 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,377 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,380 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,383 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,386 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,388 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,391 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,393 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,395 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,398 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,401 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,404 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,406 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,409 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,412 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,414 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,417 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,419 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,422 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,424 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,426 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,428 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,430 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,432 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,435 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,438 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,441 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,444 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,447 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,449 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,451 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,454 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,456 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,458 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,460 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,463 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,466 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,469 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,471 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,474 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,476 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,479 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,481 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,483 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,485 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,488 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,490 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,493 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,495 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,498 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,501 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,504 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,506 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,509 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,512 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,515 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,518 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,520 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,522 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,525 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,527 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,530 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,532 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,535 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,537 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,539 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,542 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,545 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,547 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,550 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,553 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,556 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,560 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,562 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,565 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,567 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,569 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,572 copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:41:30,574 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,576 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,579 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,582 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,584 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,587 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,590 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,593 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,596 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,599 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,602 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,605 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,608 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,610 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,612 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,615 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,617 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,619 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,621 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,623 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,626 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,628 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,630 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,633 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,636 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,639 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,642 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,645 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,647 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,649 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,652 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,654 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,656 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,659 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,661 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,664 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,667 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,670 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,672 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,674 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,676 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,679 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,682 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,684 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,687 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,690 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,692 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,695 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,698 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,700 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,703 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,706 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,708 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,711 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,714 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,717 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,720 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,722 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,724 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,726 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,729 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,732 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,735 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,738 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,741 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,743 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,746 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,749 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,751 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,754 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,757 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,760 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,763 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,766 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,769 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,772 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,774 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,777 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,780 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,783 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,785 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,788 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,790 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,793 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,796 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,798 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,801 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,804 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,807 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,809 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,811 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,813 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,816 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,818 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,820 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,822 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,824 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,827 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,829 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,832 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,835 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,837 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,839 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,842 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,845 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,848 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,850 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,853 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,855 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,857 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,860 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,862 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,864 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,866 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,869 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,871 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,873 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,875 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,878 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,880 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,882 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,884 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,887 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,890 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,892 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,894 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,897 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,901 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,903 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,906 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,908 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,911 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,913 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,915 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,917 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,919 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,922 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,924 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,926 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,928 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,931 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,933 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,935 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,937 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,940 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,943 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,945 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,948 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,951 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,953 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,956 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,958 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,960 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,963 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,965 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,967 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,969 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,971 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,974 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,976 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,978 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,981 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,983 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,985 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,988 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,991 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,993 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,996 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:30,999 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,001 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,004 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,006 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,008 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,011 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,013 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,016 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,019 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,021 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,023 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,025 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,028 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,030 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,032 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,035 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,037 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,039 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,042 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,044 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,046 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,049 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,051 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,054 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,056 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,058 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,061 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,064 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,066 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,068 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,070 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,073 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,076 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,078 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,081 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,083 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,086 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,088 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,091 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,094 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,096 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,099 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,101 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,104 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,106 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,108 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,110 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,113 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,115 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,118 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,120 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,123 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,126 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,128 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,131 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,133 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,135 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,138 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,141 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,143 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,146 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,148 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,150 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,153 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,155 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,157 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,159 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,162 copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:41:31,164 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,165 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,168 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,171 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,174 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,176 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,179 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,181 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,183 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,186 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,188 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,191 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,193 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,195 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,198 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,200 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,203 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,205 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,207 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,209 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,212 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,214 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,216 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,218 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,220 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,222 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,225 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,227 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,229 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,232 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,234 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,237 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,239 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,242 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,244 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,247 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,250 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,253 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,255 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,257 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,260 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,262 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,264 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,266 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,268 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,270 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,273 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,275 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,278 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,280 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,282 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,285 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,287 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,290 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,293 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,295 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,297 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,299 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,302 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,305 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,307 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,310 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,312 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,315 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,317 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,320 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,322 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,324 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,326 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,329 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,331 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,333 copying xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:41:31,335 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,336 copying xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,338 copying xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,341 copying xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,344 copying xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,346 copying xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,349 copying xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,352 copying xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,354 copying xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,356 copying xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,358 copying xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,361 copying xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,364 copying xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,367 copying xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,370 copying xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,372 copying xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,375 copying xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:41:31,377 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,378 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,381 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,383 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,386 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,388 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,391 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,394 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,397 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,399 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,402 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,405 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,408 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,410 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,413 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,416 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,419 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,422 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,424 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,426 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,429 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,431 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,434 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,437 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,440 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,443 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,445 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,448 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,451 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,454 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,456 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,458 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,461 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,463 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,466 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,468 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,470 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,473 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,475 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,478 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,480 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,483 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,485 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,487 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,490 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,492 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,494 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,497 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,499 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,502 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,505 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,507 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,509 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,511 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,513 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,516 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,519 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,521 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,523 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,526 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,528 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,531 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,533 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,535 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,538 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,540 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,542 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,544 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,546 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,549 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,551 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,554 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,556 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,558 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,561 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,564 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,566 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,569 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,572 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,575 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,578 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,581 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,583 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,586 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,590 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,593 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,597 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,601 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,604 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,606 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,609 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,612 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,614 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,617 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,620 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,623 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,626 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,630 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,633 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,636 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,639 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,641 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,644 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,647 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,651 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,654 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,657 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,661 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,664 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,668 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,672 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,674 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,677 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,681 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,684 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,688 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,691 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,694 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,698 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,701 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,704 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,706 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,708 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,711 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,714 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,717 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,719 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,721 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,724 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,726 copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:41:31,728 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,730 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,733 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,737 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,740 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,743 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,746 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,749 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,752 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:41:31,755 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,756 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,760 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,763 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,766 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,769 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,772 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,775 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,778 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,782 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,786 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,789 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,793 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,797 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,802 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,807 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,812 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,816 copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,820 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,824 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,827 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,830 copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,833 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,835 copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,837 copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,840 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,843 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,845 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,848 copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,850 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,853 copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,856 copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,858 copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,860 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,863 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,865 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,868 copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,870 copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,872 copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,874 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,877 copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,879 copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,882 copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:41:31,884 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,886 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,889 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,892 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,895 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,897 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,899 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,902 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,905 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,907 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,910 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,912 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,915 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,917 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,919 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,922 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,924 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,927 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,930 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,933 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,936 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,938 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,941 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,943 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,945 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,948 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,950 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,953 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,955 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,958 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,961 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,964 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,966 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,969 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,971 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,973 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,976 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,978 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,980 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,983 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,985 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,987 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,990 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,992 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,995 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:31,997 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,000 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,003 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,005 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,008 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,010 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,012 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,014 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,017 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,019 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,022 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,025 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,028 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,030 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,032 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,035 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,038 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,040 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,043 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,045 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,047 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,050 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,052 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,055 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,058 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,060 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,063 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,065 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,067 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,070 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,072 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,074 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,077 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,079 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,082 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,084 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,087 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,090 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,093 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,096 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,099 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,102 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,105 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,107 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,110 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,112 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,115 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,118 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,121 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,123 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,125 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,127 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,130 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,132 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,135 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,138 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,140 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,143 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,145 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,148 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,150 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,152 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,154 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,156 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,159 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,161 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,164 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,167 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,169 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,172 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,174 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,176 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,179 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,181 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,185 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,188 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,191 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,194 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,196 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,198 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,201 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,203 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,205 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,208 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,211 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,213 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,215 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,218 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,220 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,222 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,225 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,227 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,230 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,232 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,235 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,237 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,240 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,242 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,245 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,248 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,250 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,252 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,255 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,257 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,260 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,263 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,266 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,268 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,271 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,274 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,277 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,279 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,282 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,284 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,286 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,289 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,291 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,293 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,296 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,298 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,300 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,303 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,305 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,308 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,310 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,312 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,314 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,317 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,319 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,322 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,325 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,327 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,329 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,332 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,334 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,336 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,338 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,341 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,343 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,345 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,348 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,351 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,354 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,356 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,358 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,361 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,364 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,367 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,369 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,372 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,374 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,376 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,379 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,381 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,383 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,385 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,388 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,390 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,393 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,395 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,397 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,399 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,402 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,404 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,406 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,409 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,412 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,414 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,417 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,420 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,422 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,424 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,427 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,429 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,431 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,433 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,436 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,439 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,442 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,445 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,447 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,449 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,451 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,454 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,457 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,460 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,463 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,465 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,468 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,470 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,472 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,474 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,477 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,480 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,483 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,486 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,488 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,491 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,493 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,495 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,498 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,500 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,502 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,505 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,507 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,509 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,511 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,513 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,515 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,518 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,520 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,522 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,524 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,526 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,528 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,531 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,533 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,535 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,537 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,539 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,542 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,544 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,546 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,548 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,550 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,553 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,555 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,557 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,559 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,562 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,564 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,566 copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,568 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,571 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,573 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,575 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,578 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,580 copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,582 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,585 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,587 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,589 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,592 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,594 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,596 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,599 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,601 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,603 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,606 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,608 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,610 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,612 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,614 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,616 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,619 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,621 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,624 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,626 copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,629 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,631 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,633 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,635 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,637 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,640 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,643 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,645 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,648 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,651 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,653 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,656 copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,658 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,661 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,663 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,666 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,669 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,672 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,675 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,678 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,681 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,684 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,686 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,689 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,691 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,694 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,696 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,699 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,701 copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,703 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,706 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,709 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,712 copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,715 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,718 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,721 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,723 copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,726 copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,728 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,731 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,733 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,736 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,738 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,741 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,743 copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,746 copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,749 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,752 copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,754 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,757 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,759 copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,762 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,764 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,766 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,769 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,772 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,775 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,777 copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,780 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,782 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,785 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,787 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,789 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,792 copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,794 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,796 copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,798 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,801 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,803 copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,805 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,807 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,809 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,811 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,814 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,816 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,819 copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,821 copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,824 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,826 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,829 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,832 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,835 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,838 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,840 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,842 copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,844 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,846 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,849 copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,851 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,853 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,856 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,858 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,860 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,862 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,865 copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,868 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,871 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,873 copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,875 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,878 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,880 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,883 copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,886 copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,888 copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,891 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,893 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,895 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,898 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,900 copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,902 copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,905 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,907 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,910 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,912 copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,916 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,919 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,922 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,924 copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,927 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,930 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,932 copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,935 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,937 copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,940 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,943 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,945 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,947 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,950 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,953 copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,957 copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,961 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,964 copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,967 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,969 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,972 copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,975 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,977 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,979 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,982 copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,985 copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,988 copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,991 copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,994 copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:32,997 copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,001 copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,004 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,006 copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,009 copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,012 copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,014 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,017 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,019 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,021 copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,024 copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,026 copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,028 copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,031 copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,033 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,036 copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,038 copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,041 copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,043 copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,045 copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,047 copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,050 copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,052 copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,055 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,058 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,061 copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,064 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,067 copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,070 copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,072 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,075 copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,078 copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,081 copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,084 copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,087 copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,090 copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,093 copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,096 copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:41:33,099 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,101 copying xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,104 copying xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,107 copying xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,110 copying xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,113 copying xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,116 copying xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,119 copying xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,121 copying xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,124 copying xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,126 copying xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,129 copying xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,133 copying xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,135 copying xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,138 copying xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,141 copying xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,143 copying xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,145 copying xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,148 copying xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,150 copying xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,153 copying xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,155 copying xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,157 copying xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,160 copying xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,163 copying xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,165 copying xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,168 copying xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,170 copying xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,173 copying xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,176 copying xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,178 copying xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,181 copying xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,183 copying xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,186 copying xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,189 copying xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,192 copying xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,195 copying xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,197 copying xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,199 copying xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,201 copying xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,204 copying xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,207 copying xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,210 copying xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,212 copying xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,214 copying xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,216 copying xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,219 copying xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,221 copying xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,223 copying xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,226 copying xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,229 copying xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,232 copying xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,234 copying xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,236 copying xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,238 copying xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,241 copying xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,244 copying xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,246 copying xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,249 copying xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,252 copying xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,255 copying xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,258 copying xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,261 copying xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,263 copying xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,265 copying xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,268 copying xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,270 copying xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,272 copying xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,274 copying xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,277 copying xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,279 copying xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,281 copying xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:41:33,284 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,285 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,288 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,290 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,293 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,296 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,298 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,300 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,303 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,305 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,307 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,310 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,313 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,315 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,318 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,321 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,324 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,326 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,328 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,331 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,333 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,335 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,337 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,340 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,342 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,345 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,347 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,349 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,351 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,354 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,356 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,359 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,362 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,364 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,367 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,370 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,373 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,375 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,378 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,380 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,382 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,384 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,387 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,390 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,392 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,394 copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:41:33,397 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,398 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,401 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,403 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,405 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,408 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,410 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,412 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,415 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,417 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,419 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,421 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,424 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,426 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,428 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,431 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,433 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,436 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,438 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,441 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,443 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,445 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,448 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,450 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,453 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,456 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,458 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,460 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,462 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,465 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,467 copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,469 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,471 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,474 copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,476 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,479 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,482 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,484 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,487 copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,489 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,491 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,494 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,496 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,499 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,501 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,504 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,507 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,509 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,512 copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,514 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,517 copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,519 copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,521 copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,524 copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,526 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,528 copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,531 copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,533 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,535 copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,538 copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,540 copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,543 copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,546 copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,548 copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,551 copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,553 copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,556 copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,558 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,560 copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,563 copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,565 copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,567 copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,569 copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:41:33,572 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,573 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,576 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,578 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,581 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,584 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,587 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,590 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,592 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,595 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,598 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,601 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,603 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,606 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,609 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,612 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,615 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,617 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,619 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,621 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,624 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,626 copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:41:33,628 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,630 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,633 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,635 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,638 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,640 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,642 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,645 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,647 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,649 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,652 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,654 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,657 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,660 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,662 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,665 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,668 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,670 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,673 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,675 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,678 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,680 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,683 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,685 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,688 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,691 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,694 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,696 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,698 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,700 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,703 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,706 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,709 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,712 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,714 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,716 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,719 copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:41:33,722 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,724 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,726 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,729 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,731 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,734 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,736 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,739 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,741 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,744 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,746 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,749 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,751 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,754 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,756 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,759 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,762 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,764 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,767 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,769 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,772 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,774 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,777 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,780 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,782 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,785 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,788 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,790 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,793 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,795 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,797 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,800 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,803 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,805 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,808 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,811 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,814 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,817 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,820 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,823 copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:41:33,826 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,828 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,831 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,834 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,837 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,840 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,843 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,846 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,848 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,851 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,854 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,857 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,860 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,863 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,866 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,869 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,872 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,875 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,878 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,881 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,884 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,887 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,889 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,891 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,894 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,897 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,900 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,903 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,905 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,907 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,910 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,912 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,915 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,918 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,920 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,922 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,925 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,927 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,930 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,933 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,935 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,937 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,940 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,943 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,946 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,948 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,951 copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:41:33,953 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,954 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,956 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,959 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,961 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,964 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,966 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,969 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,971 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,973 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,975 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,977 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,979 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,982 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,984 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,987 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,989 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,991 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,993 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,995 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:33,998 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,000 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,003 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,005 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,008 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,010 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,013 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,015 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,017 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,019 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,022 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,024 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,027 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,029 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,031 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,033 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,035 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,038 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,040 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,042 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,044 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,046 copying xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:41:34,048 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,050 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,052 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,054 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,057 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,059 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,062 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,064 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,066 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,069 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,071 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,075 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,078 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,081 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,084 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,086 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,089 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,092 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,095 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,098 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,101 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,104 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,108 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,112 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,115 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,118 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,121 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,124 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,127 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,130 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,133 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,136 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:41:34,138 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,139 copying xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,141 copying xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,144 copying xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,146 copying xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,150 copying xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,153 copying xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,156 copying xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,160 copying xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,163 copying xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,165 copying xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,168 copying xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,170 copying xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,173 copying xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,176 copying xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,178 copying xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,181 copying xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,184 copying xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,187 copying xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,190 copying xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,193 copying xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,196 copying xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,199 copying xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,203 copying xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,206 copying xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,208 copying xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,211 copying xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:41:34,213 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,215 copying xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,218 copying xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,221 copying xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,224 copying xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,227 copying xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,230 copying xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,233 copying xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,236 copying xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,239 copying xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,242 copying xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,245 copying xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,249 copying xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,251 copying xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,254 copying xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,256 copying xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,258 copying xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,261 copying xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,263 copying xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,265 copying xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,268 copying xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,270 copying xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,273 copying xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,275 copying xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:41:34,278 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,279 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,281 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,283 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,286 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,288 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,291 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,293 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,295 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,297 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,300 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,303 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,305 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,308 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,310 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,313 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,315 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,317 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,320 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,322 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,324 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,327 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,329 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,331 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,333 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,335 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,337 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,340 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,343 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,345 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,348 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,351 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,354 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,356 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,358 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,361 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,363 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,366 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,368 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,370 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,373 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,375 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,377 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,380 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,382 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,384 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,387 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,389 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,392 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,395 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,397 copying xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:41:34,399 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,401 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,403 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,405 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,407 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,410 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,412 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,415 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,417 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,420 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,423 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,425 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,428 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,431 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,433 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,436 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,438 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,440 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,443 copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:41:34,445 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,447 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,449 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,452 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,455 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,458 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,460 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,463 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,465 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,468 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,471 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,473 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,476 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,478 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,480 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,483 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,485 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,488 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,491 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,494 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,496 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,498 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,500 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,503 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,505 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,507 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,510 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,512 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,515 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,517 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,519 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,521 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,524 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,527 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,530 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,532 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,535 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,538 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,540 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,543 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,545 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,547 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,550 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,552 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,554 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,556 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,559 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,561 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,564 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,567 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,569 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,571 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,574 copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:41:34,576 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,577 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,580 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,583 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,586 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,588 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,591 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,593 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,595 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,598 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,600 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,603 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,605 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,608 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,611 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,613 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,616 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,618 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,621 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,624 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,626 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,629 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,631 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,633 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,636 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,639 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,642 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,645 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,649 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,651 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,653 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,656 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,658 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,660 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,662 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,665 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,668 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,671 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,673 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,675 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,677 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,680 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,682 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,686 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,689 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,691 copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:41:34,694 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,695 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,698 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,701 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,703 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,705 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,707 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,710 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,712 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,715 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,718 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,720 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,723 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,726 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,728 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,730 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,733 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,735 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,738 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,740 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,743 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,745 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,748 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,751 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,753 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,756 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,758 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,760 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,763 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,765 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,767 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,769 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,772 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,774 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,776 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,779 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,781 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,784 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,786 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,789 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,791 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,793 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,795 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,798 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,800 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,802 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,804 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,807 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,809 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,811 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,814 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,816 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,818 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,820 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,823 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,826 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,828 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,831 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,834 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,836 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,839 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,841 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,843 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,846 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,848 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,851 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,854 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,856 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,859 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,862 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,864 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,867 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,869 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,871 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,873 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,875 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,878 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,881 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,883 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,885 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,887 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,889 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,891 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,893 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,896 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,899 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,901 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,904 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,906 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,908 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,911 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,913 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,916 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,918 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,921 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,923 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,925 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,927 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,930 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,933 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,935 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,938 copying xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:41:34,940 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,941 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,944 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,946 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,949 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,952 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,954 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,957 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,960 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,962 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,964 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,966 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,969 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,972 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,975 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,977 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,980 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,982 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,984 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,986 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,989 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,991 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,993 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,995 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,997 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:34,999 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,002 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,004 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,006 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,009 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,012 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,014 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,016 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,019 copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:41:35,021 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,022 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,025 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,027 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,029 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,032 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,034 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,036 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,039 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,042 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,045 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,047 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,050 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,052 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,054 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,057 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,060 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,063 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,065 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,067 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,069 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,071 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,073 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,075 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,077 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,080 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,082 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,084 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,086 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,088 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,091 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,093 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,095 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,098 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,100 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,102 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,105 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,107 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,109 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,112 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,114 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,117 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,119 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,121 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,124 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,126 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,128 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,130 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,133 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,135 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,137 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,139 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,141 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,143 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,146 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,148 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,150 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,152 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,154 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,157 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,159 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,161 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,163 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,165 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,168 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,170 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,172 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,174 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,176 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,179 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,181 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,183 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,185 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,187 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,190 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,193 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,196 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,198 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,200 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,202 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,204 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,206 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,209 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,211 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,213 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,215 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,218 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,220 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,223 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,226 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,229 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,232 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,234 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,237 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,239 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,242 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,244 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,247 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,250 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,253 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,255 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,258 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,260 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,263 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,265 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,268 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,271 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,273 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,276 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,278 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,281 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,283 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,285 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,288 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,290 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,293 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,295 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,298 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,300 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,302 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,304 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,307 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,309 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,311 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,314 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,317 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,320 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,322 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,325 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,328 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,331 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,333 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,336 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,339 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,342 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,345 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,347 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,350 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,352 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,356 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,359 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,362 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,364 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,366 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,369 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,371 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,373 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,375 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,378 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,380 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,383 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,386 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,389 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,391 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,394 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,396 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,399 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,402 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,405 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,407 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,410 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,412 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,415 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,417 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,420 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,422 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,425 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,427 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,430 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,432 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,435 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,437 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,439 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,441 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,444 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,446 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,449 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,451 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,453 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,456 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,459 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,461 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,463 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,466 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,469 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,472 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,474 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,477 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,480 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,482 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,485 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,487 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,490 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,492 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,495 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,498 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,501 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,504 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,507 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,510 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,513 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,515 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,518 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,521 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,524 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,527 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,530 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,533 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,535 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,538 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,541 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,544 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,547 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,550 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,553 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,556 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,559 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,562 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,564 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,567 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,569 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,572 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,575 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,578 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,580 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,583 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,586 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,588 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,590 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,593 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,595 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,598 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,601 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,604 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,607 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,609 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,612 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,614 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,616 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,619 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,622 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,625 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,627 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,630 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,632 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,634 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,636 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,639 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,642 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,645 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,648 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,650 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,652 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,654 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,656 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,659 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,661 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,664 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,666 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,668 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,671 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,673 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,676 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,679 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,681 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,684 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,686 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,688 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,691 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,693 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,695 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,698 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,700 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,703 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,705 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,708 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,711 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,713 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,716 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,718 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,720 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,723 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,725 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,728 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,730 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,733 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,735 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,737 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,739 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,742 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,744 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,747 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,749 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,752 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,754 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,756 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,759 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,762 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,765 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,767 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,770 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,772 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,774 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,776 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,779 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,781 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,784 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,786 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,789 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,792 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,795 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,798 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,801 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,803 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,806 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,808 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,811 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,813 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,815 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,818 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,820 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,822 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,825 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,828 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,831 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,834 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,837 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,839 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,842 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,845 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,848 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,851 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,853 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,855 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,857 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,860 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,862 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,864 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,866 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,868 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,870 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,873 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,875 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,878 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,881 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,883 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,886 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,888 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,890 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,893 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,896 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,899 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,901 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,903 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,906 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,908 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,911 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,914 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,917 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,920 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,922 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,924 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,927 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,930 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,933 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,935 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,937 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,939 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,941 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,944 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,947 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,950 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,952 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,955 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,957 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,960 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,962 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,965 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,967 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,970 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,972 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,975 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,977 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,979 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,981 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,984 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,986 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,988 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,991 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,993 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,996 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:35,998 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,000 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,002 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,005 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,007 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,009 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,011 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,013 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,016 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,018 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,020 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,022 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,028 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,030 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,032 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,035 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,038 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,041 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,043 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,045 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,047 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,049 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,052 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,054 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,056 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,058 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,061 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,064 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,067 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,070 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,073 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,075 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,077 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,079 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,081 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,083 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,085 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,088 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,090 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,092 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,094 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,096 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,098 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,101 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,103 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,105 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,108 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,110 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,113 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,115 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,118 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,121 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,124 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,127 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,130 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,133 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,135 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,138 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,140 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,143 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,145 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,148 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,151 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,154 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,157 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,159 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,161 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,163 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,166 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,169 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,172 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,175 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,177 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,179 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,181 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,184 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,187 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,189 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,192 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,195 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,197 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,199 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,201 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,204 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,207 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,210 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,212 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,215 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,218 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,221 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,223 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,225 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,227 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,230 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,233 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,236 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,239 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,242 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,244 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,246 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,249 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,252 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,255 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,257 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,259 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,261 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,264 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,267 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,270 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,272 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,275 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,277 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,280 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,282 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,284 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,287 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,290 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,293 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,295 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,298 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,300 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,302 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,305 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,308 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,310 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,313 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,315 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,317 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,320 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,324 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,326 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,329 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,332 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,335 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,338 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,341 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,343 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,346 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,349 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,352 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,355 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,358 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,361 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,364 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,367 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,370 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,373 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,376 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,379 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,382 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,385 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,389 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,392 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,395 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,398 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,401 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,404 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,407 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,410 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,413 copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,416 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,419 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,422 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,425 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,428 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,431 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,434 copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,437 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,440 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,443 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,446 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,449 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,451 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,453 copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,456 copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,459 copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,462 copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,465 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,467 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,469 copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,472 copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,475 copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,477 copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:41:36,480 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,481 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,485 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,488 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,490 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,493 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,496 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,499 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,502 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,505 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,508 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,511 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,513 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,516 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,519 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,522 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,524 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,527 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,529 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,532 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,534 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,537 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,540 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,543 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,545 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,548 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,551 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,553 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,556 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,560 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,563 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,565 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,568 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,570 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,573 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,576 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,579 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,582 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,585 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,587 copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:41:36,590 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,592 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,596 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,598 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,601 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,604 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,607 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,609 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,611 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,613 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,616 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,618 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,620 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,622 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,625 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,628 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,631 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,634 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,637 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,639 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,642 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,644 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,646 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,649 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,651 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,653 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,656 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,658 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,660 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,663 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,666 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,669 copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:41:36,671 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,672 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,675 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,677 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,679 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,682 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,685 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,688 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,690 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,692 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,694 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,697 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,699 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,702 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,704 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,706 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,709 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,711 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,713 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,715 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,718 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,720 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,722 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,725 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,727 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,729 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,732 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,734 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,737 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,740 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,743 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,745 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,747 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,749 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,751 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,753 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,755 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,758 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,760 copying xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:41:36,762 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,763 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,766 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,768 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,770 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,772 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,774 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,776 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,779 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,781 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,783 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,785 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,787 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,790 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,793 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,796 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,799 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,802 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,805 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,807 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,809 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,812 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,815 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,818 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,820 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,823 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,826 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,828 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,831 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,833 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,836 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,838 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,841 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,843 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,846 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,849 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,852 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,854 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,856 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,859 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,862 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,865 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,867 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,869 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,871 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,874 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,877 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,880 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,882 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,884 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,887 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,889 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,892 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,895 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,898 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,901 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,903 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,906 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,909 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,912 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,915 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,917 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,919 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,922 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,925 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,928 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,931 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,933 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,936 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,938 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,940 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,942 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,945 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,947 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,950 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,953 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,956 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,958 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,960 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,963 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,965 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,967 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,970 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,973 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,976 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,979 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,983 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,985 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,988 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,990 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,992 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,994 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,997 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:36,999 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,002 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,004 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,007 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,010 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,012 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,015 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,018 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,021 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,023 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,026 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,028 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,031 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,033 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,035 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,038 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,040 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,043 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,045 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,049 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,051 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,054 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,057 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,060 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,062 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,065 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,068 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,071 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,074 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,076 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,078 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,081 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,083 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,085 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,087 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,090 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,093 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,096 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,099 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,102 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,105 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,107 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,110 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,112 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,114 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,117 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,119 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,121 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,124 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,127 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,130 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,132 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,135 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,137 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,140 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,143 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,145 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,148 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,151 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,153 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,156 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,159 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,162 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,165 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,167 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,170 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,172 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,175 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,178 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,181 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,183 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,186 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,189 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,192 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,195 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,198 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,201 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,203 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,206 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,208 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,210 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,212 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,215 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,217 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,219 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,222 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,225 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,228 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,231 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,234 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,236 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,239 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,241 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,244 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,247 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,250 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,253 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,256 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,258 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,260 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,262 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,265 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,267 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,269 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,271 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,274 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,276 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,278 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,281 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,284 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,286 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,289 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,291 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,294 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,296 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,299 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,302 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,305 copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:41:37,307 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,309 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,311 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,314 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,317 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,321 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,323 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,325 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,328 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,330 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,332 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,334 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,337 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,340 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,343 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,345 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,347 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,349 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,351 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,353 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,356 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,358 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,360 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,362 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,365 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,367 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,369 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,371 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,373 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,376 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,378 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,380 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,382 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,384 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,386 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,388 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,391 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,393 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,395 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,398 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,400 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,402 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,404 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,406 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,409 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,411 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,413 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,416 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,418 copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:41:37,420 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,421 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,423 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,426 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,428 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,431 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,433 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,435 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,438 copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:41:37,441 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,442 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,445 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,447 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,449 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,451 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,454 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,457 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,460 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,463 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,465 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,468 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,470 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,473 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,476 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,479 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,482 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,484 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,486 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,488 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,491 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,494 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,496 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,498 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,500 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,503 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,505 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,507 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,510 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,512 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,514 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,517 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,520 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,523 copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,526 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,528 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,530 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,533 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,535 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,537 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,539 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,542 copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,544 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,546 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,549 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,551 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,553 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,556 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,558 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,561 copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,563 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,566 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,568 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,571 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,573 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,575 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,578 copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,581 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,584 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,587 copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,590 copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,593 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,597 copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,600 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,603 copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,606 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,609 copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,613 copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,616 copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,620 copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,623 copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,626 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,629 copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,631 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,634 copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,637 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,640 copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,643 copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,646 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,649 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,653 copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,656 copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,660 copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,663 copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,667 copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,671 copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,674 copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,677 copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,681 copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,684 copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,687 copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,691 copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,694 copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,697 copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:41:37,701 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,703 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,706 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,710 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,712 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,715 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,719 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,722 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,726 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,730 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,733 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,736 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,739 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,742 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,745 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,747 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,750 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,752 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,754 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,757 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,760 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,762 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,765 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,768 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,771 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,773 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,776 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,779 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,781 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,783 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,786 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,789 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,792 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,794 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,797 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,799 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,802 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,806 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,808 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,811 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,813 copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:41:37,816 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,817 copying xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,820 copying xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,823 copying xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,825 copying xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,828 copying xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,830 copying xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,832 copying xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,834 copying xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,837 copying xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,840 copying xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,842 copying xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,844 copying xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,847 copying xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,850 copying xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:41:37,852 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,854 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,857 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,859 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,862 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,865 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,867 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,869 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,871 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,874 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,876 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,879 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,882 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,884 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,886 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,888 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,891 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,893 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,895 copying xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:41:37,897 creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,898 copying xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,901 copying xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,903 copying xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,906 copying xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,909 copying xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,911 copying xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,914 copying xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,917 copying xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,919 copying xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,922 copying xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,925 copying xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,927 copying xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,930 copying xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,932 copying xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,935 copying xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,937 copying xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,939 copying xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,942 copying xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,944 copying xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,946 copying xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,948 copying xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,950 copying xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,953 copying xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,955 copying xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,958 copying xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,960 copying xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,969 copying xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,971 copying xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,974 copying xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,976 copying xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,978 copying xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,981 copying xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,983 copying xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,986 copying xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,988 copying xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:41:37,991 creating build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:37,992 copying xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:37,995 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:37,997 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,000 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,003 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,006 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,009 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,012 copying xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,014 copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,016 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,018 copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,021 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,024 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,026 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,029 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,031 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,033 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,036 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,038 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,040 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,043 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,045 copying xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,049 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,052 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,054 copying xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,058 copying xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,064 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,067 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,069 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,071 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,073 copying xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,076 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,078 copying xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,080 copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,082 copying xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,086 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,088 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,091 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,093 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,096 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,099 copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,102 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,106 copying xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,108 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,111 copying xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,114 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,117 copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,120 copying xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,123 copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,127 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,129 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,132 copying xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,134 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,137 copying xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,140 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,143 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,146 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,149 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,152 copying xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,155 copying xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,158 copying xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,161 copying xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,163 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,166 copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,169 copying xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,173 copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,176 copying xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,178 copying xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,182 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,184 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,189 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,191 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,194 copying xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,196 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,198 copying xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,201 copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,203 copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,205 copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:41:38,207 copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset 2026-02-10T11:41:38,221 creating build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,223 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,226 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,229 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,232 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,234 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,236 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,238 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,241 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,244 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,247 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,250 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,253 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,255 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,257 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,260 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,263 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,266 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,269 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,271 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,274 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,276 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,278 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,280 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,282 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,284 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,287 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,290 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,292 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,295 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,297 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,299 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,301 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,304 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,307 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,310 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,312 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,315 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,318 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,320 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,322 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,324 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,327 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,330 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,333 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,335 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,337 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,340 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,342 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,345 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,347 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,349 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,352 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,355 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,358 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,361 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,363 copying xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:38,365 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,367 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,369 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,372 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,375 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,377 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,380 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,382 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,385 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,387 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,389 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,392 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,395 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,398 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,400 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,402 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,404 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,407 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,409 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,412 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,414 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,417 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,419 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,421 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,423 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,425 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,428 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,431 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,433 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,436 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,439 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,442 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,444 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,447 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,450 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,452 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,454 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,456 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:41:38,458 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,460 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,463 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,466 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,469 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,471 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,473 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,475 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,478 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,481 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,484 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,487 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,490 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,493 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,495 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,497 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,500 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,503 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,505 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,508 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,510 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,513 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,515 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,518 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,521 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,523 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,526 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,528 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,531 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,533 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,535 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,537 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,539 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,541 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,543 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,546 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,548 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,550 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,552 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,554 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,557 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,559 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,561 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,563 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,565 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,567 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,570 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,572 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,574 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,576 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,578 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,581 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,583 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,584 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,586 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,588 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,590 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,593 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,594 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,597 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,599 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,601 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,603 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,606 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,608 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,610 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,613 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,615 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,617 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,619 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,622 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,624 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,626 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,628 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,631 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:41:38,634 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,635 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,637 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,639 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,641 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,643 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,645 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,647 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,649 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,652 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,654 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,656 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,658 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,661 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,663 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,665 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,668 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,671 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,674 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,677 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,679 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,682 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,684 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,687 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,690 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,693 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,696 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,698 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,700 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,703 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,705 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,708 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,711 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,714 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,716 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,718 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,720 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,723 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,724 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,727 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,729 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,731 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,733 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,736 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,738 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,740 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,743 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,746 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,748 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,751 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,753 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,755 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,756 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,758 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,761 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,764 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,767 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,770 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,773 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,776 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:41:38,778 creating build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,779 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,782 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,784 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,786 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,789 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,791 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,793 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,795 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,798 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,801 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,803 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,805 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,808 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,810 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,813 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,815 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,817 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,820 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,822 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,825 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,828 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,831 copying xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,834 creating build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,835 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,839 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,842 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,844 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,846 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,849 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,851 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,853 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,855 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,857 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,860 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,862 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,865 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,868 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,870 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,873 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,876 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,878 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,881 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,884 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,886 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,889 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,891 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,893 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,895 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,897 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,900 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,902 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,905 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,907 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,910 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,912 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,915 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,918 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,921 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,923 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,926 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,928 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,931 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,933 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,936 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,938 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,940 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,943 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,945 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,948 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,950 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,953 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,956 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,959 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,961 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,964 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,967 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,970 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,973 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,976 copying xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:41:38,978 copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset 2026-02-10T11:41:57,228 installing to build/bdist.linux-armv7l/wheel 2026-02-10T11:41:57,229 running install 2026-02-10T11:41:57,253 running install_lib 2026-02-10T11:41:57,260 creating build/bdist.linux-armv7l/wheel 2026-02-10T11:41:57,263 creating build/bdist.linux-armv7l/wheel/xcbm 2026-02-10T11:41:57,265 creating build/bdist.linux-armv7l/wheel/xcbm/Input_Scripts 2026-02-10T11:41:57,267 copying build/lib/xcbm/Input_Scripts/calc_GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts 2026-02-10T11:41:57,270 copying build/lib/xcbm/Input_Scripts/calc_MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts 2026-02-10T11:41:57,272 copying build/lib/xcbm/GMTKN55.py -> build/bdist.linux-armv7l/wheel/./xcbm 2026-02-10T11:41:57,275 copying build/lib/xcbm/MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm 2026-02-10T11:41:57,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset 2026-02-10T11:41:57,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,283 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,286 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,288 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,290 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,293 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,295 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,297 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,299 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,302 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,304 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,307 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,309 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,312 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,314 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,317 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,320 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,322 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,324 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,327 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,329 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,332 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,334 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,336 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,338 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,340 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,342 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,344 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,346 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,348 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,351 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,353 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,356 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,358 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,361 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,363 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,365 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,367 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,370 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,372 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,374 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,376 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,378 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,381 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,383 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,386 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,388 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,390 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,392 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,395 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,397 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,399 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,401 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,403 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,405 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,407 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,409 copying build/lib/xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STOCHIOMETRY 2026-02-10T11:41:57,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES 2026-02-10T11:41:57,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43 2026-02-10T11:41:57,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:41:57,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30 2026-02-10T11:41:57,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:41:57,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43 2026-02-10T11:41:57,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:41:57,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2 2026-02-10T11:41:57,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:41:57,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19 2026-02-10T11:41:57,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:41:57,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33 2026-02-10T11:41:57,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:41:57,444 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16 2026-02-10T11:41:57,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:41:57,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4 2026-02-10T11:41:57,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:41:57,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42 2026-02-10T11:41:57,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:41:57,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4 2026-02-10T11:41:57,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:41:57,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41 2026-02-10T11:41:57,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:41:57,465 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22 2026-02-10T11:41:57,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:41:57,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28 2026-02-10T11:41:57,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:41:57,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36 2026-02-10T11:41:57,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:41:57,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25 2026-02-10T11:41:57,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:41:57,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12 2026-02-10T11:41:57,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:41:57,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23 2026-02-10T11:41:57,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:41:57,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH 2026-02-10T11:41:57,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:41:57,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20 2026-02-10T11:41:57,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:41:57,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24 2026-02-10T11:41:57,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:41:57,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04 2026-02-10T11:41:57,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:41:57,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40 2026-02-10T11:41:57,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:41:57,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09 2026-02-10T11:41:57,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:41:57,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2 2026-02-10T11:41:57,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:41:57,520 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06 2026-02-10T11:41:57,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:41:57,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2 2026-02-10T11:41:57,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:41:57,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14 2026-02-10T11:41:57,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:41:57,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3 2026-02-10T11:41:57,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:41:57,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2 2026-02-10T11:41:57,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:41:57,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03 2026-02-10T11:41:57,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:41:57,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35 2026-02-10T11:41:57,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:41:57,548 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32 2026-02-10T11:41:57,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:41:57,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2 2026-02-10T11:41:57,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:41:57,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21 2026-02-10T11:41:57,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:41:57,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2 2026-02-10T11:41:57,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:41:57,565 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01 2026-02-10T11:41:57,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:41:57,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08 2026-02-10T11:41:57,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:41:57,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37 2026-02-10T11:41:57,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:41:57,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11 2026-02-10T11:41:57,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:41:57,579 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2 2026-02-10T11:41:57,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:41:57,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38 2026-02-10T11:41:57,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:41:57,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07 2026-02-10T11:41:57,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:41:57,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29 2026-02-10T11:41:57,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:41:57,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18 2026-02-10T11:41:57,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:41:57,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17 2026-02-10T11:41:57,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:41:57,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26 2026-02-10T11:41:57,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:41:57,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10 2026-02-10T11:41:57,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:41:57,610 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39 2026-02-10T11:41:57,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:41:57,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2 2026-02-10T11:41:57,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:41:57,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05 2026-02-10T11:41:57,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:41:57,621 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02 2026-02-10T11:41:57,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:41:57,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH 2026-02-10T11:41:57,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:41:57,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13 2026-02-10T11:41:57,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:41:57,631 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3 2026-02-10T11:41:57,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:41:57,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34 2026-02-10T11:41:57,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:41:57,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15 2026-02-10T11:41:57,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:41:57,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27 2026-02-10T11:41:57,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:41:57,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2 2026-02-10T11:41:57,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:41:57,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31 2026-02-10T11:41:57,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6 2026-02-10T11:41:57,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:57,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5 2026-02-10T11:41:57,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:57,660 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4 2026-02-10T11:41:57,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:57,663 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6 2026-02-10T11:41:57,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:57,667 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3 2026-02-10T11:41:57,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:57,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6 2026-02-10T11:41:57,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:57,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:41:57,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:57,678 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3 2026-02-10T11:41:57,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:57,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3 2026-02-10T11:41:57,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:57,685 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2 2026-02-10T11:41:57,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:57,688 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3 2026-02-10T11:41:57,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:57,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6 2026-02-10T11:41:57,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05 2026-02-10T11:41:57,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:57,700 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17 2026-02-10T11:41:57,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:41:57,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8 2026-02-10T11:41:57,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:57,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74 2026-02-10T11:41:57,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:41:57,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43 2026-02-10T11:41:57,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:41:57,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c 2026-02-10T11:41:57,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:57,719 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn 2026-02-10T11:41:57,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:57,723 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:41:57,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:41:57,727 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 2026-02-10T11:41:57,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:57,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25 2026-02-10T11:41:57,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:41:57,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he 2026-02-10T11:41:57,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:57,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr 2026-02-10T11:41:57,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:57,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64 2026-02-10T11:41:57,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:57,747 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3 2026-02-10T11:41:57,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:57,750 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:41:57,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:57,754 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp 2026-02-10T11:41:57,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:41:57,757 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68 2026-02-10T11:41:57,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:41:57,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic 2026-02-10T11:41:57,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:57,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:41:57,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:57,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:41:57,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:57,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f 2026-02-10T11:41:57,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:41:57,778 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B 2026-02-10T11:41:57,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:41:57,782 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl 2026-02-10T11:41:57,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:57,786 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH 2026-02-10T11:41:57,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:57,790 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76 2026-02-10T11:41:57,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:41:57,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o 2026-02-10T11:41:57,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:57,799 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3 2026-02-10T11:41:57,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:57,803 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4 2026-02-10T11:41:57,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:57,808 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts 2026-02-10T11:41:57,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:41:57,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45 2026-02-10T11:41:57,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:57,816 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc 2026-02-10T11:41:57,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:57,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:41:57,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:41:57,824 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B 2026-02-10T11:41:57,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:41:57,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B 2026-02-10T11:41:57,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:57,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2 2026-02-10T11:41:57,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:41:57,836 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25 2026-02-10T11:41:57,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:41:57,840 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48 2026-02-10T11:41:57,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:57,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:41:57,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:57,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2 2026-02-10T11:41:57,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:41:57,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A 2026-02-10T11:41:57,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:57,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:41:57,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:41:57,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20 2026-02-10T11:41:57,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:41:57,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf 2026-02-10T11:41:57,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:57,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:41:57,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:41:57,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al 2026-02-10T11:41:57,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:41:57,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A 2026-02-10T11:41:57,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:57,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20 2026-02-10T11:41:57,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:41:57,883 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s 2026-02-10T11:41:57,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:57,887 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:41:57,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:41:57,891 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4 2026-02-10T11:41:57,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:57,895 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:41:57,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:41:57,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A 2026-02-10T11:41:57,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:41:57,904 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A 2026-02-10T11:41:57,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:57,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2 2026-02-10T11:41:57,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:57,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:41:57,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:41:57,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24 2026-02-10T11:41:57,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:57,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:41:57,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:41:57,924 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 2026-02-10T11:41:57,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:57,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10 2026-02-10T11:41:57,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:57,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4 2026-02-10T11:41:57,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:57,937 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:41:57,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:41:57,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A 2026-02-10T11:41:57,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:57,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1 2026-02-10T11:41:57,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:41:57,950 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh 2026-02-10T11:41:57,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:57,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3 2026-02-10T11:41:57,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:41:57,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40 2026-02-10T11:41:57,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:57,963 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1 2026-02-10T11:41:57,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:41:57,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg 2026-02-10T11:41:57,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:57,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80 2026-02-10T11:41:57,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:57,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2 2026-02-10T11:41:57,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:41:57,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1 2026-02-10T11:41:57,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:57,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02 2026-02-10T11:41:57,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:41:57,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a 2026-02-10T11:41:57,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:41:57,989 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 2026-02-10T11:41:57,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:57,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2 2026-02-10T11:41:57,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:57,996 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:41:57,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:41:57,999 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar 2026-02-10T11:41:58,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:58,003 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:41:58,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:41:58,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58 2026-02-10T11:41:58,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:41:58,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47 2026-02-10T11:41:58,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:58,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:41:58,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:58,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:41:58,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:58,022 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:41:58,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:58,025 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S 2026-02-10T11:41:58,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:58,028 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14 2026-02-10T11:41:58,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:41:58,032 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20 2026-02-10T11:41:58,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:41:58,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2 2026-02-10T11:41:58,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:58,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+ 2026-02-10T11:41:58,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:41:58,043 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b 2026-02-10T11:41:58,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:41:58,046 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco 2026-02-10T11:41:58,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:58,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3 2026-02-10T11:41:58,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:58,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71 2026-02-10T11:41:58,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:58,060 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2 2026-02-10T11:41:58,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:58,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:41:58,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:41:58,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B 2026-02-10T11:41:58,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:58,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe 2026-02-10T11:41:58,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:41:58,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf 2026-02-10T11:41:58,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:58,080 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:41:58,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:58,084 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2 2026-02-10T11:41:58,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:58,089 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+ 2026-02-10T11:41:58,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:58,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:41:58,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:58,098 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:41:58,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:58,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3 2026-02-10T11:41:58,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:58,105 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21 2026-02-10T11:41:58,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:41:58,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf 2026-02-10T11:41:58,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:41:58,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne 2026-02-10T11:41:58,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:58,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12 2026-02-10T11:41:58,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:41:58,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr 2026-02-10T11:41:58,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:58,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+ 2026-02-10T11:41:58,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:58,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts 2026-02-10T11:41:58,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:58,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:41:58,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:58,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs 2026-02-10T11:41:58,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:41:58,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5 2026-02-10T11:41:58,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:41:58,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2 2026-02-10T11:41:58,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:58,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O 2026-02-10T11:41:58,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:58,156 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p 2026-02-10T11:41:58,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:41:58,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1 2026-02-10T11:41:58,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:58,164 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4 2026-02-10T11:41:58,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:58,168 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s 2026-02-10T11:41:58,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:58,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2 2026-02-10T11:41:58,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:41:58,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B 2026-02-10T11:41:58,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:58,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl 2026-02-10T11:41:58,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:58,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm 2026-02-10T11:41:58,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:58,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:41:58,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:41:58,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k 2026-02-10T11:41:58,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:58,194 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl 2026-02-10T11:41:58,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:58,198 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo 2026-02-10T11:41:58,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:41:58,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18 2026-02-10T11:41:58,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:41:58,208 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A 2026-02-10T11:41:58,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:41:58,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f 2026-02-10T11:41:58,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:41:58,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh 2026-02-10T11:41:58,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:41:58,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6 2026-02-10T11:41:58,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:58,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2 2026-02-10T11:41:58,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:58,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p 2026-02-10T11:41:58,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:58,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn 2026-02-10T11:41:58,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:58,234 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2 2026-02-10T11:41:58,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:58,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots 2026-02-10T11:41:58,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:58,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4 2026-02-10T11:41:58,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:41:58,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A 2026-02-10T11:41:58,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:41:58,250 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2 2026-02-10T11:41:58,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:41:58,254 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B 2026-02-10T11:41:58,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:41:58,257 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B 2026-02-10T11:41:58,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:41:58,261 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20 2026-02-10T11:41:58,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:41:58,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39 2026-02-10T11:41:58,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:41:58,270 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59 2026-02-10T11:41:58,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:41:58,274 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b 2026-02-10T11:41:58,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:58,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo 2026-02-10T11:41:58,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:58,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67 2026-02-10T11:41:58,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:41:58,286 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh 2026-02-10T11:41:58,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:58,290 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78 2026-02-10T11:41:58,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:58,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH 2026-02-10T11:41:58,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:58,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s 2026-02-10T11:41:58,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:41:58,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13 2026-02-10T11:41:58,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:58,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+ 2026-02-10T11:41:58,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:41:58,311 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34 2026-02-10T11:41:58,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:58,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2 2026-02-10T11:41:58,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:41:58,318 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca 2026-02-10T11:41:58,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:58,321 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr 2026-02-10T11:41:58,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:58,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s 2026-02-10T11:41:58,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:58,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:41:58,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:41:58,335 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be 2026-02-10T11:41:58,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:41:58,338 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si 2026-02-10T11:41:58,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:58,342 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2 2026-02-10T11:41:58,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:41:58,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A 2026-02-10T11:41:58,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:41:58,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao 2026-02-10T11:41:58,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:58,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3 2026-02-10T11:41:58,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:58,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:41:58,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:58,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:41:58,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:41:58,364 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73 2026-02-10T11:41:58,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:41:58,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h 2026-02-10T11:41:58,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:58,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+ 2026-02-10T11:41:58,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC 2026-02-10T11:41:58,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:41:58,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104 2026-02-10T11:41:58,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:41:58,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8 2026-02-10T11:41:58,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:41:58,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30 2026-02-10T11:41:58,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:41:58,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126 2026-02-10T11:41:58,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:41:58,394 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33 2026-02-10T11:41:58,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:41:58,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128 2026-02-10T11:41:58,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:41:58,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68 2026-02-10T11:41:58,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:41:58,407 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94 2026-02-10T11:41:58,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:41:58,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45 2026-02-10T11:41:58,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:41:58,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22 2026-02-10T11:41:58,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:41:58,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25 2026-02-10T11:41:58,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:41:58,423 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100 2026-02-10T11:41:58,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:41:58,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23 2026-02-10T11:41:58,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:41:58,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52 2026-02-10T11:41:58,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:41:58,436 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118 2026-02-10T11:41:58,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:41:58,440 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113 2026-02-10T11:41:58,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:41:58,443 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24 2026-02-10T11:41:58,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:41:58,447 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40 2026-02-10T11:41:58,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:41:58,450 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57 2026-02-10T11:41:58,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:41:58,454 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106 2026-02-10T11:41:58,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:41:58,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88 2026-02-10T11:41:58,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:41:58,461 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58 2026-02-10T11:41:58,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:41:58,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47 2026-02-10T11:41:58,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:41:58,468 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14 2026-02-10T11:41:58,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:41:58,472 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66 2026-02-10T11:41:58,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:41:58,475 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51 2026-02-10T11:41:58,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:41:58,479 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32 2026-02-10T11:41:58,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:41:58,482 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117 2026-02-10T11:41:58,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:41:58,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56 2026-02-10T11:41:58,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:41:58,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21 2026-02-10T11:41:58,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:41:58,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61 2026-02-10T11:41:58,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:41:58,498 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67 2026-02-10T11:41:58,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:41:58,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11 2026-02-10T11:41:58,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:41:58,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82 2026-02-10T11:41:58,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:41:58,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1 2026-02-10T11:41:58,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:41:58,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97 2026-02-10T11:41:58,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:41:58,514 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60 2026-02-10T11:41:58,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:41:58,518 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121 2026-02-10T11:41:58,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:41:58,522 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18 2026-02-10T11:41:58,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:41:58,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6 2026-02-10T11:41:58,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:41:58,528 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62 2026-02-10T11:41:58,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:41:58,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26 2026-02-10T11:41:58,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:41:58,535 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39 2026-02-10T11:41:58,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:41:58,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59 2026-02-10T11:41:58,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:41:58,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13 2026-02-10T11:41:58,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:41:58,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34 2026-02-10T11:41:58,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:41:58,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73 2026-02-10T11:41:58,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11 2026-02-10T11:41:58,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:58,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:41:58,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:58,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br 2026-02-10T11:41:58,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:58,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:41:58,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:58,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:41:58,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:58,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:41:58,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:58,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:41:58,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:58,582 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:41:58,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:58,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:41:58,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:58,591 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:41:58,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:58,595 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:41:58,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:58,598 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:41:58,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:58,602 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:41:58,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:58,606 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:41:58,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:58,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:41:58,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:58,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:41:58,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:58,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:41:58,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:58,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:41:58,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:58,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:41:58,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:58,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:41:58,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:58,633 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:41:58,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:58,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:41:58,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:58,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:41:58,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27 2026-02-10T11:41:58,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:58,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op 2026-02-10T11:41:58,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:58,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:41:58,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:58,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:41:58,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:58,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:41:58,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:58,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:41:58,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:58,665 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:41:58,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:58,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:41:58,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:58,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3 2026-02-10T11:41:58,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:58,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:41:58,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:58,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6 2026-02-10T11:41:58,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:58,685 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:41:58,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:58,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b 2026-02-10T11:41:58,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:58,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20 2026-02-10T11:41:58,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:58,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:41:58,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:58,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:41:58,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:58,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:41:58,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:58,709 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c 2026-02-10T11:41:58,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:58,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:41:58,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:58,717 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:41:58,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:58,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es 2026-02-10T11:41:58,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:58,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:41:58,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:41:58,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O 2026-02-10T11:41:58,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:41:58,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm 2026-02-10T11:41:58,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:58,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:41:58,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:58,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4 2026-02-10T11:41:58,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:58,746 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2 2026-02-10T11:41:58,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:58,750 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:41:58,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:58,754 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:41:58,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:58,758 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5 2026-02-10T11:41:58,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:58,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:41:58,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59 2026-02-10T11:41:58,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:58,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:41:58,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:41:58,772 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 2026-02-10T11:41:58,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:58,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:41:58,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:41:58,781 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 2026-02-10T11:41:58,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:41:58,785 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 2026-02-10T11:41:58,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:41:58,789 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 2026-02-10T11:41:58,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:41:58,793 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 2026-02-10T11:41:58,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:58,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:41:58,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:58,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:41:58,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:41:58,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI 2026-02-10T11:41:58,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:41:58,808 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 2026-02-10T11:41:58,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:58,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:41:58,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:41:58,817 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 2026-02-10T11:41:58,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:41:58,820 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH 2026-02-10T11:41:58,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:41:58,824 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 2026-02-10T11:41:58,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:41:58,828 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:41:58,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:58,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:41:58,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:41:58,837 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 2026-02-10T11:41:58,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:41:58,841 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 2026-02-10T11:41:58,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:58,844 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH 2026-02-10T11:41:58,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:41:58,848 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 2026-02-10T11:41:58,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:41:58,853 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 2026-02-10T11:41:58,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:58,857 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:41:58,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:58,861 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:41:58,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:58,865 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:41:58,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:41:58,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr 2026-02-10T11:41:58,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:58,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:41:58,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:58,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:41:58,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:41:58,880 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 2026-02-10T11:41:58,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:58,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:41:58,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:58,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:41:58,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:58,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:41:58,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:41:58,898 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 2026-02-10T11:41:58,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:58,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:41:58,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:58,907 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:41:58,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:58,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:41:58,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:58,915 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:41:58,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:41:58,919 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 2026-02-10T11:41:58,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:41:58,923 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 2026-02-10T11:41:58,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:41:58,928 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 2026-02-10T11:41:58,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:58,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:41:58,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:41:58,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI 2026-02-10T11:41:58,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:58,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr 2026-02-10T11:41:58,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:58,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:41:58,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:41:58,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr 2026-02-10T11:41:58,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:41:58,950 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 2026-02-10T11:41:58,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:41:58,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI 2026-02-10T11:41:58,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:58,957 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:41:58,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:58,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:41:58,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:58,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:41:58,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:41:58,969 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 2026-02-10T11:41:58,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:58,972 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:41:58,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:58,976 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:41:58,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:58,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:41:58,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:58,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:41:58,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:41:58,986 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 2026-02-10T11:41:58,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:41:58,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS 2026-02-10T11:41:58,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:58,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:41:58,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:41:58,996 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 2026-02-10T11:41:58,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:59,000 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:41:59,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:41:59,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl 2026-02-10T11:41:59,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:41:59,008 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 2026-02-10T11:41:59,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:41:59,013 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 2026-02-10T11:41:59,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:59,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:41:59,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:41:59,022 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 2026-02-10T11:41:59,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:41:59,027 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 2026-02-10T11:41:59,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:41:59,031 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 2026-02-10T11:41:59,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:41:59,035 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 2026-02-10T11:41:59,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:59,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:41:59,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:41:59,045 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 2026-02-10T11:41:59,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:41:59,049 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 2026-02-10T11:41:59,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:59,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:41:59,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:59,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:41:59,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:41:59,062 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 2026-02-10T11:41:59,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:59,066 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:41:59,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:41:59,070 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 2026-02-10T11:41:59,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:41:59,074 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 2026-02-10T11:41:59,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:41:59,077 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 2026-02-10T11:41:59,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:41:59,081 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 2026-02-10T11:41:59,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:59,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:41:59,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:41:59,090 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 2026-02-10T11:41:59,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:59,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:41:59,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:59,099 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:41:59,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:41:59,102 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 2026-02-10T11:41:59,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:41:59,106 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 2026-02-10T11:41:59,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:59,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI 2026-02-10T11:41:59,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:59,113 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:41:59,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:59,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:41:59,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:59,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:41:59,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:41:59,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3 2026-02-10T11:41:59,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:41:59,127 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 2026-02-10T11:41:59,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:41:59,130 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 2026-02-10T11:41:59,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:41:59,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH 2026-02-10T11:41:59,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:41:59,139 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 2026-02-10T11:41:59,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:41:59,143 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS 2026-02-10T11:41:59,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:59,147 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:41:59,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:59,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr 2026-02-10T11:41:59,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:59,156 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:41:59,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:41:59,159 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe 2026-02-10T11:41:59,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:41:59,163 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 2026-02-10T11:41:59,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:59,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2 2026-02-10T11:41:59,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:59,171 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3 2026-02-10T11:41:59,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:59,175 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:41:59,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:59,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:41:59,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:59,184 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:41:59,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12 2026-02-10T11:41:59,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:59,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:41:59,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:59,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O 2026-02-10T11:41:59,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:59,200 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:41:59,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:59,205 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:41:59,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:59,209 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:41:59,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:59,213 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:41:59,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:59,217 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:41:59,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:59,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:41:59,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:59,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O 2026-02-10T11:41:59,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:59,229 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:41:59,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:59,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:41:59,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:59,237 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:41:59,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:59,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:41:59,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:59,244 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:41:59,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:59,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:41:59,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:59,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:41:59,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:59,258 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O 2026-02-10T11:41:59,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:59,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N 2026-02-10T11:41:59,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:59,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL 2026-02-10T11:41:59,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:59,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:41:59,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:59,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:41:59,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:59,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:41:59,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:59,283 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL 2026-02-10T11:41:59,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:59,287 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N 2026-02-10T11:41:59,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:59,291 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:41:59,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:59,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:41:59,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:59,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:41:59,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:59,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL 2026-02-10T11:41:59,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:59,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:41:59,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:59,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N 2026-02-10T11:41:59,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:59,318 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:41:59,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:59,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:41:59,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:59,326 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL 2026-02-10T11:41:59,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:59,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N 2026-02-10T11:41:59,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:59,335 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O 2026-02-10T11:41:59,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:59,339 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:41:59,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16 2026-02-10T11:41:59,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:41:59,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A 2026-02-10T11:41:59,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:41:59,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229 2026-02-10T11:41:59,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:41:59,354 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B 2026-02-10T11:41:59,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:41:59,359 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A 2026-02-10T11:41:59,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:41:59,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B 2026-02-10T11:41:59,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:41:59,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B 2026-02-10T11:41:59,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:41:59,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B 2026-02-10T11:41:59,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:41:59,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202 2026-02-10T11:41:59,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:41:59,380 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148 2026-02-10T11:41:59,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:41:59,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A 2026-02-10T11:41:59,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:41:59,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008 2026-02-10T11:41:59,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:41:59,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147 2026-02-10T11:41:59,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:41:59,397 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B 2026-02-10T11:41:59,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:41:59,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227 2026-02-10T11:41:59,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:41:59,406 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B 2026-02-10T11:41:59,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:41:59,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A 2026-02-10T11:41:59,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:41:59,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A 2026-02-10T11:41:59,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:41:59,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B 2026-02-10T11:41:59,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:41:59,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214 2026-02-10T11:41:59,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:41:59,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A 2026-02-10T11:41:59,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:41:59,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A 2026-02-10T11:41:59,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:41:59,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B 2026-02-10T11:41:59,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:41:59,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213 2026-02-10T11:41:59,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:41:59,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B 2026-02-10T11:41:59,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:41:59,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152 2026-02-10T11:41:59,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:41:59,447 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B 2026-02-10T11:41:59,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:41:59,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A 2026-02-10T11:41:59,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:41:59,456 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150 2026-02-10T11:41:59,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:41:59,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B 2026-02-10T11:41:59,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:41:59,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A 2026-02-10T11:41:59,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:41:59,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230 2026-02-10T11:41:59,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:41:59,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231 2026-02-10T11:41:59,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:41:59,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A 2026-02-10T11:41:59,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:41:59,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187 2026-02-10T11:41:59,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:41:59,483 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A 2026-02-10T11:41:59,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:41:59,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212 2026-02-10T11:41:59,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:41:59,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B 2026-02-10T11:41:59,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:41:59,496 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B 2026-02-10T11:41:59,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:41:59,500 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B 2026-02-10T11:41:59,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:41:59,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A 2026-02-10T11:41:59,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:41:59,507 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B 2026-02-10T11:41:59,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:41:59,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A 2026-02-10T11:41:59,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:41:59,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228 2026-02-10T11:41:59,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:41:59,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A 2026-02-10T11:41:59,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:41:59,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A 2026-02-10T11:41:59,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:41:59,527 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144 2026-02-10T11:41:59,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:41:59,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B 2026-02-10T11:41:59,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:41:59,535 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A 2026-02-10T11:41:59,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18 2026-02-10T11:41:59,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:41:59,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2 2026-02-10T11:41:59,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:41:59,545 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr 2026-02-10T11:41:59,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:41:59,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3 2026-02-10T11:41:59,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:41:59,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6 2026-02-10T11:41:59,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:41:59,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf 2026-02-10T11:41:59,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:59,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:41:59,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:41:59,564 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2 2026-02-10T11:41:59,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:41:59,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr 2026-02-10T11:41:59,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:59,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:41:59,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:41:59,575 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4 2026-02-10T11:41:59,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:41:59,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3 2026-02-10T11:41:59,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:41:59,582 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar 2026-02-10T11:41:59,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:41:59,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz 2026-02-10T11:41:59,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:41:59,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr 2026-02-10T11:41:59,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:41:59,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6 2026-02-10T11:41:59,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:59,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:41:59,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:41:59,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe 2026-02-10T11:41:59,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:41:59,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2 2026-02-10T11:41:59,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:41:59,608 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3 2026-02-10T11:41:59,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:41:59,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne 2026-02-10T11:41:59,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:41:59,615 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr 2026-02-10T11:41:59,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:41:59,619 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4 2026-02-10T11:41:59,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:41:59,623 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe 2026-02-10T11:41:59,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:59,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:41:59,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:41:59,631 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2 2026-02-10T11:41:59,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO 2026-02-10T11:41:59,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:41:59,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8 2026-02-10T11:41:59,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:41:59,640 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9 2026-02-10T11:41:59,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:41:59,644 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4 2026-02-10T11:41:59,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:41:59,648 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3 2026-02-10T11:41:59,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:41:59,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2 2026-02-10T11:41:59,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:41:59,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7 2026-02-10T11:41:59,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:41:59,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5 2026-02-10T11:41:59,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:41:59,663 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1 2026-02-10T11:41:59,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:41:59,667 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6 2026-02-10T11:41:59,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:41:59,671 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10 2026-02-10T11:41:59,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66 2026-02-10T11:41:59,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:41:59,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A 2026-02-10T11:41:59,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:41:59,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B 2026-02-10T11:41:59,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:41:59,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B 2026-02-10T11:41:59,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:41:59,691 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30 2026-02-10T11:41:59,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:41:59,695 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43 2026-02-10T11:41:59,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:41:59,699 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B 2026-02-10T11:41:59,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:41:59,703 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A 2026-02-10T11:41:59,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:41:59,707 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B 2026-02-10T11:41:59,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:41:59,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A 2026-02-10T11:41:59,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:41:59,714 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A 2026-02-10T11:41:59,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:41:59,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B 2026-02-10T11:41:59,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:41:59,721 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B 2026-02-10T11:41:59,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:41:59,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19 2026-02-10T11:41:59,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:41:59,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33 2026-02-10T11:41:59,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:41:59,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B 2026-02-10T11:41:59,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:41:59,737 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A 2026-02-10T11:41:59,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:41:59,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A 2026-02-10T11:41:59,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:41:59,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16 2026-02-10T11:41:59,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:41:59,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B 2026-02-10T11:41:59,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:41:59,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B 2026-02-10T11:41:59,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:41:59,757 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B 2026-02-10T11:41:59,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:41:59,761 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B 2026-02-10T11:41:59,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:41:59,765 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42 2026-02-10T11:41:59,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:41:59,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41 2026-02-10T11:41:59,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:41:59,772 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A 2026-02-10T11:41:59,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:41:59,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45 2026-02-10T11:41:59,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:41:59,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22 2026-02-10T11:41:59,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:41:59,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28 2026-02-10T11:41:59,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:41:59,787 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B 2026-02-10T11:41:59,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:41:59,792 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B 2026-02-10T11:41:59,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:41:59,795 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A 2026-02-10T11:41:59,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:41:59,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36 2026-02-10T11:41:59,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:41:59,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25 2026-02-10T11:41:59,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:41:59,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A 2026-02-10T11:41:59,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:41:59,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12 2026-02-10T11:41:59,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:41:59,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23 2026-02-10T11:41:59,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:41:59,819 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48 2026-02-10T11:41:59,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:41:59,823 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B 2026-02-10T11:41:59,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:41:59,826 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A 2026-02-10T11:41:59,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:41:59,829 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B 2026-02-10T11:41:59,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:41:59,833 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A 2026-02-10T11:41:59,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:41:59,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52 2026-02-10T11:41:59,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:41:59,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B 2026-02-10T11:41:59,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:41:59,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B 2026-02-10T11:41:59,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:41:59,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A 2026-02-10T11:41:59,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:41:59,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A 2026-02-10T11:41:59,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:41:59,857 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A 2026-02-10T11:41:59,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:41:59,861 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B 2026-02-10T11:41:59,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:41:59,865 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49 2026-02-10T11:41:59,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:41:59,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20 2026-02-10T11:41:59,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:41:59,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A 2026-02-10T11:41:59,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:41:59,877 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A 2026-02-10T11:41:59,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:41:59,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B 2026-02-10T11:41:59,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:41:59,886 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B 2026-02-10T11:41:59,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:41:59,890 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A 2026-02-10T11:41:59,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:41:59,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A 2026-02-10T11:41:59,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:41:59,897 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24 2026-02-10T11:41:59,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:41:59,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A 2026-02-10T11:41:59,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:41:59,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55 2026-02-10T11:41:59,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:41:59,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B 2026-02-10T11:41:59,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:41:59,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53 2026-02-10T11:41:59,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:41:59,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B 2026-02-10T11:41:59,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:41:59,922 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B 2026-02-10T11:41:59,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:41:59,925 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04 2026-02-10T11:41:59,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:41:59,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54 2026-02-10T11:41:59,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:41:59,932 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B 2026-02-10T11:41:59,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:41:59,937 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B 2026-02-10T11:41:59,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:41:59,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B 2026-02-10T11:41:59,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:41:59,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A 2026-02-10T11:41:59,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:41:59,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A 2026-02-10T11:41:59,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:41:59,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40 2026-02-10T11:41:59,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:41:59,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A 2026-02-10T11:41:59,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:41:59,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B 2026-02-10T11:41:59,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:41:59,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B 2026-02-10T11:41:59,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:41:59,970 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57 2026-02-10T11:41:59,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:41:59,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B 2026-02-10T11:41:59,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:41:59,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A 2026-02-10T11:41:59,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:41:59,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B 2026-02-10T11:41:59,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:41:59,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A 2026-02-10T11:41:59,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:41:59,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/09 2026-02-10T11:41:59,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:41:59,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A 2026-02-10T11:41:59,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:41:59,996 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A 2026-02-10T11:41:59,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:41:59,999 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A 2026-02-10T11:42:00,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:42:00,003 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A 2026-02-10T11:42:00,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:42:00,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A 2026-02-10T11:42:00,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:42:00,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B 2026-02-10T11:42:00,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:42:00,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B 2026-02-10T11:42:00,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:42:00,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A 2026-02-10T11:42:00,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:42:00,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58 2026-02-10T11:42:00,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:42:00,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/47 2026-02-10T11:42:00,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:42:00,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/06 2026-02-10T11:42:00,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:42:00,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A 2026-02-10T11:42:00,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:42:00,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A 2026-02-10T11:42:00,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:42:00,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B 2026-02-10T11:42:00,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:42:00,046 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A 2026-02-10T11:42:00,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:42:00,050 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B 2026-02-10T11:42:00,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:42:00,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A 2026-02-10T11:42:00,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:42:00,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14 2026-02-10T11:42:00,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:42:00,063 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66 2026-02-10T11:42:00,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:42:00,066 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51 2026-02-10T11:42:00,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:42:00,070 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/50 2026-02-10T11:42:00,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:42:00,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A 2026-02-10T11:42:00,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:42:00,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/03 2026-02-10T11:42:00,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:42:00,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A 2026-02-10T11:42:00,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:42:00,087 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A 2026-02-10T11:42:00,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:42:00,091 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A 2026-02-10T11:42:00,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:42:00,096 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B 2026-02-10T11:42:00,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:42:00,099 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B 2026-02-10T11:42:00,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:42:00,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/44 2026-02-10T11:42:00,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:42:00,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35 2026-02-10T11:42:00,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:42:00,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/32 2026-02-10T11:42:00,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:42:00,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B 2026-02-10T11:42:00,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:42:00,118 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56 2026-02-10T11:42:00,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:42:00,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A 2026-02-10T11:42:00,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:42:00,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21 2026-02-10T11:42:00,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:42:00,132 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A 2026-02-10T11:42:00,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:42:00,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B 2026-02-10T11:42:00,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:42:00,139 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B 2026-02-10T11:42:00,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:42:00,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/61 2026-02-10T11:42:00,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:42:00,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A 2026-02-10T11:42:00,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:42:00,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B 2026-02-10T11:42:00,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:42:00,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B 2026-02-10T11:42:00,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:42:00,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01 2026-02-10T11:42:00,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:42:00,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08 2026-02-10T11:42:00,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:42:00,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B 2026-02-10T11:42:00,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:42:00,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37 2026-02-10T11:42:00,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:42:00,174 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A 2026-02-10T11:42:00,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:42:00,177 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/11 2026-02-10T11:42:00,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:42:00,180 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B 2026-02-10T11:42:00,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:42:00,184 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B 2026-02-10T11:42:00,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:42:00,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A 2026-02-10T11:42:00,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:42:00,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A 2026-02-10T11:42:00,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:42:00,194 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A 2026-02-10T11:42:00,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:42:00,198 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A 2026-02-10T11:42:00,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:42:00,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B 2026-02-10T11:42:00,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:42:00,205 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A 2026-02-10T11:42:00,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:42:00,208 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B 2026-02-10T11:42:00,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:42:00,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/38 2026-02-10T11:42:00,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:42:00,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A 2026-02-10T11:42:00,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:42:00,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A 2026-02-10T11:42:00,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:42:00,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B 2026-02-10T11:42:00,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:42:00,229 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A 2026-02-10T11:42:00,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:42:00,233 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/46 2026-02-10T11:42:00,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:42:00,237 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/07 2026-02-10T11:42:00,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:42:00,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B 2026-02-10T11:42:00,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:42:00,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A 2026-02-10T11:42:00,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:42:00,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29 2026-02-10T11:42:00,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:42:00,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B 2026-02-10T11:42:00,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:42:00,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B 2026-02-10T11:42:00,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:42:00,258 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60 2026-02-10T11:42:00,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:42:00,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A 2026-02-10T11:42:00,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:42:00,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A 2026-02-10T11:42:00,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:42:00,269 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63 2026-02-10T11:42:00,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:42:00,273 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B 2026-02-10T11:42:00,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:42:00,276 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B 2026-02-10T11:42:00,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:42:00,280 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A 2026-02-10T11:42:00,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:42:00,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A 2026-02-10T11:42:00,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:42:00,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64 2026-02-10T11:42:00,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:42:00,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/18 2026-02-10T11:42:00,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:42:00,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A 2026-02-10T11:42:00,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:42:00,300 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/17 2026-02-10T11:42:00,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:42:00,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B 2026-02-10T11:42:00,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:42:00,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/62 2026-02-10T11:42:00,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:42:00,311 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A 2026-02-10T11:42:00,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:42:00,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/26 2026-02-10T11:42:00,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:42:00,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B 2026-02-10T11:42:00,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:42:00,323 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B 2026-02-10T11:42:00,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:42:00,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B 2026-02-10T11:42:00,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:42:00,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/10 2026-02-10T11:42:00,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:42:00,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/39 2026-02-10T11:42:00,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:42:00,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/59 2026-02-10T11:42:00,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:42:00,344 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/05 2026-02-10T11:42:00,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:42:00,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A 2026-02-10T11:42:00,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:42:00,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A 2026-02-10T11:42:00,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:42:00,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B 2026-02-10T11:42:00,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:42:00,358 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B 2026-02-10T11:42:00,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:42:00,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B 2026-02-10T11:42:00,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:42:00,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02 2026-02-10T11:42:00,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:42:00,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65 2026-02-10T11:42:00,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:42:00,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/13 2026-02-10T11:42:00,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:42:00,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A 2026-02-10T11:42:00,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:42:00,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B 2026-02-10T11:42:00,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:42:00,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34 2026-02-10T11:42:00,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:42:00,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/15 2026-02-10T11:42:00,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:42:00,390 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/27 2026-02-10T11:42:00,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:42:00,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A 2026-02-10T11:42:00,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:42:00,397 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A 2026-02-10T11:42:00,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:42:00,400 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B 2026-02-10T11:42:00,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:42:00,404 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A 2026-02-10T11:42:00,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:42:00,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B 2026-02-10T11:42:00,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:42:00,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A 2026-02-10T11:42:00,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:42:00,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B 2026-02-10T11:42:00,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:42:00,423 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A 2026-02-10T11:42:00,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:42:00,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B 2026-02-10T11:42:00,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:42:00,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A 2026-02-10T11:42:00,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:42:00,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B 2026-02-10T11:42:00,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:42:00,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B 2026-02-10T11:42:00,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:42:00,441 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S66/31 2026-02-10T11:42:00,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51 2026-02-10T11:42:00,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:00,449 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:00,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:00,453 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:00,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:00,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:00,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:00,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:00,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:00,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:00,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:42:00,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene 2026-02-10T11:42:00,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:42:00,472 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 2026-02-10T11:42:00,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:00,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:00,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:00,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:00,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:00,483 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:00,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:00,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:00,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:00,490 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:00,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:00,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:00,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:00,498 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:00,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:00,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:00,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:00,505 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:00,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:00,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:00,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:00,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:00,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:00,516 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:00,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:42:00,520 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl 2026-02-10T11:42:00,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:42:00,524 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol 2026-02-10T11:42:00,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:42:00,528 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 2026-02-10T11:42:00,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:42:00,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2 2026-02-10T11:42:00,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:00,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:00,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:42:00,542 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 2026-02-10T11:42:00,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:00,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:00,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:42:00,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO 2026-02-10T11:42:00,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:00,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:00,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:00,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:00,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:00,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:00,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:00,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:00,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:00,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:00,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:00,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:00,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:00,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:00,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:42:00,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne 2026-02-10T11:42:00,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:00,589 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:00,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:00,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:00,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:42:00,598 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 2026-02-10T11:42:00,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:00,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:00,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:42:00,609 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 2026-02-10T11:42:00,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:00,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:00,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:42:00,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S 2026-02-10T11:42:00,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:42:00,623 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 2026-02-10T11:42:00,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:00,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:00,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:00,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:00,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:00,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:00,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:00,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:00,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:00,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:00,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:42:00,651 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 2026-02-10T11:42:00,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:00,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:00,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:00,659 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:00,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:00,664 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:00,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:42:00,668 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN 2026-02-10T11:42:00,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:42:00,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO 2026-02-10T11:42:00,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:00,679 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 2026-02-10T11:42:00,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:42:00,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2 2026-02-10T11:42:00,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:42:00,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O 2026-02-10T11:42:00,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:00,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:00,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:00,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:00,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:42:00,703 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene 2026-02-10T11:42:00,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:00,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:00,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:00,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:00,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:42:00,717 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol 2026-02-10T11:42:00,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:00,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:00,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:00,728 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:00,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:00,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:00,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:42:00,739 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 2026-02-10T11:42:00,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:00,744 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:00,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:42:00,748 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 2026-02-10T11:42:00,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:42:00,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2 2026-02-10T11:42:00,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:00,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:00,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:00,760 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:00,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:00,764 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:00,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:00,768 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:00,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:00,771 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:00,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:42:00,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2 2026-02-10T11:42:00,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:42:00,779 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3 2026-02-10T11:42:00,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:42:00,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene 2026-02-10T11:42:00,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:42:00,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione 2026-02-10T11:42:00,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:00,793 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:00,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:00,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:00,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:00,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:00,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:00,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:00,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:42:00,809 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol 2026-02-10T11:42:00,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:00,812 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:00,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:42:00,816 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2 2026-02-10T11:42:00,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:42:00,821 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 2026-02-10T11:42:00,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC 2026-02-10T11:42:00,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:00,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:00,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:00,835 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:00,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:42:00,839 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co 2026-02-10T11:42:00,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:00,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:00,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:00,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:00,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:00,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:00,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:00,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:00,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:00,858 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:00,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:42:00,862 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl 2026-02-10T11:42:00,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:00,867 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:00,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:00,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:00,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:00,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:00,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:00,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:00,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:00,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:00,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:00,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:00,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:42:00,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS 2026-02-10T11:42:00,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:00,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:00,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:00,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:00,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:00,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:00,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:00,904 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:00,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:00,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:00,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:00,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:00,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:00,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:00,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:00,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:00,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:00,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:00,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:42:00,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2 2026-02-10T11:42:00,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:00,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:00,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:42:00,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf 2026-02-10T11:42:00,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:00,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:00,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:00,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:00,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:00,947 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:00,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:00,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:00,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:42:00,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH 2026-02-10T11:42:00,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:00,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:00,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:00,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:00,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:00,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:00,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:00,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:00,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:00,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:00,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:42:00,980 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2 2026-02-10T11:42:00,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:00,983 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:00,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:00,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:00,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:00,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:00,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:00,994 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:00,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:00,998 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:01,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:01,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:01,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:42:01,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f- 2026-02-10T11:42:01,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:01,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:01,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:01,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:01,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:01,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:01,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:01,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:01,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:01,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:01,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:42:01,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco 2026-02-10T11:42:01,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:01,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:01,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:01,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:01,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:01,041 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:01,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:01,045 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:01,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:01,049 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:01,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:01,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:01,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:42:01,057 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf 2026-02-10T11:42:01,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:01,062 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:01,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:01,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:01,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:01,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:01,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:01,073 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:01,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:01,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:01,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:01,081 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:01,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:42:01,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f 2026-02-10T11:42:01,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:01,089 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:01,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:01,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:01,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:01,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:01,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:01,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:01,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:42:01,104 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2 2026-02-10T11:42:01,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:01,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:01,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:42:01,111 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O 2026-02-10T11:42:01,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:42:01,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh 2026-02-10T11:42:01,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:01,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:01,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:01,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:01,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:01,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:01,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:01,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:01,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:01,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:01,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:01,139 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:01,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:01,143 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:01,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:01,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:01,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:01,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:01,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:42:01,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h 2026-02-10T11:42:01,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:01,159 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:01,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:01,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:01,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23 2026-02-10T11:42:01,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:42:01,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a 2026-02-10T11:42:01,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:42:01,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8 2026-02-10T11:42:01,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:42:01,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b 2026-02-10T11:42:01,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:42:01,180 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b 2026-02-10T11:42:01,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:42:01,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a 2026-02-10T11:42:01,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:42:01,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b 2026-02-10T11:42:01,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:42:01,191 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a 2026-02-10T11:42:01,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:42:01,194 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19 2026-02-10T11:42:01,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:42:01,198 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b 2026-02-10T11:42:01,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:42:01,201 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a 2026-02-10T11:42:01,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:42:01,205 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b 2026-02-10T11:42:01,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:42:01,209 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16 2026-02-10T11:42:01,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:42:01,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9 2026-02-10T11:42:01,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:42:01,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b 2026-02-10T11:42:01,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:42:01,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a 2026-02-10T11:42:01,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:42:01,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b 2026-02-10T11:42:01,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:42:01,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a 2026-02-10T11:42:01,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:42:01,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22 2026-02-10T11:42:01,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:42:01,234 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b 2026-02-10T11:42:01,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:42:01,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b 2026-02-10T11:42:01,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:42:01,241 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b 2026-02-10T11:42:01,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:42:01,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b 2026-02-10T11:42:01,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:42:01,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12 2026-02-10T11:42:01,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:42:01,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23 2026-02-10T11:42:01,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:42:01,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a 2026-02-10T11:42:01,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:42:01,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b 2026-02-10T11:42:01,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:42:01,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20 2026-02-10T11:42:01,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:42:01,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4 2026-02-10T11:42:01,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:42:01,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a 2026-02-10T11:42:01,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:42:01,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a 2026-02-10T11:42:01,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:42:01,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a 2026-02-10T11:42:01,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:42:01,283 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a 2026-02-10T11:42:01,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:42:01,286 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3 2026-02-10T11:42:01,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:42:01,290 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a 2026-02-10T11:42:01,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:42:01,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a 2026-02-10T11:42:01,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:42:01,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a 2026-02-10T11:42:01,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:42:01,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14 2026-02-10T11:42:01,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:42:01,306 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b 2026-02-10T11:42:01,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:42:01,310 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b 2026-02-10T11:42:01,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:42:01,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b 2026-02-10T11:42:01,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:42:01,317 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2 2026-02-10T11:42:01,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:42:01,321 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a 2026-02-10T11:42:01,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:42:01,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7 2026-02-10T11:42:01,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:42:01,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b 2026-02-10T11:42:01,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:42:01,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a 2026-02-10T11:42:01,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:42:01,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21 2026-02-10T11:42:01,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:42:01,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a 2026-02-10T11:42:01,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:42:01,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a 2026-02-10T11:42:01,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:42:01,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b 2026-02-10T11:42:01,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:42:01,352 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b 2026-02-10T11:42:01,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:42:01,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11 2026-02-10T11:42:01,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:42:01,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5 2026-02-10T11:42:01,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:42:01,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a 2026-02-10T11:42:01,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:42:01,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b 2026-02-10T11:42:01,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:42:01,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a 2026-02-10T11:42:01,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:42:01,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1 2026-02-10T11:42:01,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:42:01,382 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a 2026-02-10T11:42:01,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:42:01,385 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b 2026-02-10T11:42:01,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:42:01,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18 2026-02-10T11:42:01,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:42:01,393 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17 2026-02-10T11:42:01,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:42:01,397 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6 2026-02-10T11:42:01,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:42:01,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b 2026-02-10T11:42:01,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:42:01,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10 2026-02-10T11:42:01,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:42:01,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a 2026-02-10T11:42:01,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:42:01,413 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b 2026-02-10T11:42:01,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:42:01,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a 2026-02-10T11:42:01,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:42:01,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13 2026-02-10T11:42:01,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:42:01,425 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15 2026-02-10T11:42:01,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:42:01,429 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b 2026-02-10T11:42:01,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel 2026-02-10T11:42:01,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:42:01,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3 2026-02-10T11:42:01,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:42:01,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42 2026-02-10T11:42:01,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:01,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:01,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:01,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:01,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:42:01,451 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0 2026-02-10T11:42:01,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:42:01,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2 2026-02-10T11:42:01,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:42:01,460 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1 2026-02-10T11:42:01,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:01,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:01,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:01,468 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:01,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:42:01,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41 2026-02-10T11:42:01,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:42:01,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3 2026-02-10T11:42:01,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:42:01,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4 2026-02-10T11:42:01,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:42:01,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0 2026-02-10T11:42:01,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:01,487 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:01,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:42:01,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2 2026-02-10T11:42:01,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:01,496 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:01,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:42:01,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2 2026-02-10T11:42:01,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:01,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:01,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:42:01,508 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0 2026-02-10T11:42:01,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:42:01,512 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1 2026-02-10T11:42:01,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:01,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:01,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:42:01,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0 2026-02-10T11:42:01,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:01,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:01,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:01,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:01,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:01,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:01,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:42:01,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1 2026-02-10T11:42:01,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:42:01,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2 2026-02-10T11:42:01,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:42:01,547 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3 2026-02-10T11:42:01,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:42:01,551 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2 2026-02-10T11:42:01,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:01,555 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:01,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:42:01,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0 2026-02-10T11:42:01,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20 2026-02-10T11:42:01,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:42:01,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48 2026-02-10T11:42:01,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:42:01,569 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22 2026-02-10T11:42:01,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:42:01,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26 2026-02-10T11:42:01,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:42:01,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47 2026-02-10T11:42:01,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:42:01,581 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43 2026-02-10T11:42:01,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:42:01,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49 2026-02-10T11:42:01,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:42:01,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20 2026-02-10T11:42:01,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:42:01,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26 2026-02-10T11:42:01,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:42:01,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43 2026-02-10T11:42:01,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:42:01,601 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25 2026-02-10T11:42:01,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:42:01,605 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51 2026-02-10T11:42:01,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:42:01,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52 2026-02-10T11:42:01,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:42:01,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60 2026-02-10T11:42:01,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:42:01,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29 2026-02-10T11:42:01,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:42:01,621 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56 2026-02-10T11:42:01,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:42:01,625 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49 2026-02-10T11:42:01,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:42:01,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48 2026-02-10T11:42:01,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:42:01,633 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40 2026-02-10T11:42:01,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:42:01,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40 2026-02-10T11:42:01,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:42:01,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52 2026-02-10T11:42:01,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:42:01,645 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21 2026-02-10T11:42:01,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:42:01,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22 2026-02-10T11:42:01,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:42:01,653 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51 2026-02-10T11:42:01,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:42:01,657 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46 2026-02-10T11:42:01,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:42:01,661 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57 2026-02-10T11:42:01,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:42:01,665 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45 2026-02-10T11:42:01,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:42:01,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44 2026-02-10T11:42:01,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:42:01,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46 2026-02-10T11:42:01,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:42:01,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45 2026-02-10T11:42:01,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:42:01,681 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20 2026-02-10T11:42:01,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:42:01,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60 2026-02-10T11:42:01,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:42:01,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56 2026-02-10T11:42:01,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:42:01,693 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44 2026-02-10T11:42:01,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:42:01,697 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25 2026-02-10T11:42:01,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:42:01,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47 2026-02-10T11:42:01,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:42:01,706 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28 2026-02-10T11:42:01,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18 2026-02-10T11:42:01,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:01,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:01,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:01,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:01,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:01,720 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:01,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:01,723 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:01,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:01,727 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:01,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:01,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:01,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:01,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:01,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:01,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:01,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:01,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:01,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:01,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:01,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:01,753 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:01,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:01,757 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:01,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:01,762 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:01,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:01,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:01,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:01,771 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:01,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:01,776 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:01,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:01,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:01,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:01,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:01,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:01,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:01,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:01,792 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:01,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:01,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:01,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:01,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:01,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:01,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:01,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:01,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:01,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:01,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:01,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:01,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:01,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:01,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:01,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:01,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:01,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:01,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:01,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC 2026-02-10T11:42:01,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:42:01,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X 2026-02-10T11:42:01,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:42:01,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein 2026-02-10T11:42:01,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:42:01,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9 2026-02-10T11:42:01,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:42:01,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1 2026-02-10T11:42:01,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:42:01,854 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2 2026-02-10T11:42:01,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:42:01,858 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3 2026-02-10T11:42:01,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:42:01,863 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10 2026-02-10T11:42:01,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:42:01,867 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane 2026-02-10T11:42:01,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:42:01,871 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine 2026-02-10T11:42:01,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:01,875 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:01,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:42:01,879 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene 2026-02-10T11:42:01,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:42:01,884 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene 2026-02-10T11:42:01,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:42:01,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5 2026-02-10T11:42:01,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:42:01,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X 2026-02-10T11:42:01,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:42:01,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4 2026-02-10T11:42:01,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:42:01,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X 2026-02-10T11:42:01,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:42:01,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene 2026-02-10T11:42:01,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:42:01,907 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X 2026-02-10T11:42:01,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:42:01,911 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7 2026-02-10T11:42:01,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:42:01,915 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8 2026-02-10T11:42:01,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:42:01,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6 2026-02-10T11:42:01,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:01,922 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:01,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43 2026-02-10T11:42:01,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:42:01,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27 2026-02-10T11:42:01,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:42:01,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32 2026-02-10T11:42:01,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:42:01,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34 2026-02-10T11:42:01,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:42:01,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22 2026-02-10T11:42:01,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:42:01,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38 2026-02-10T11:42:01,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:42:01,950 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31 2026-02-10T11:42:01,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:42:01,954 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45 2026-02-10T11:42:01,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:42:01,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6 2026-02-10T11:42:01,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:42:01,963 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43 2026-02-10T11:42:01,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:42:01,967 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21 2026-02-10T11:42:01,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:42:01,970 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34 2026-02-10T11:42:01,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:42:01,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7 2026-02-10T11:42:01,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:42:01,977 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9 2026-02-10T11:42:01,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:42:01,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29 2026-02-10T11:42:01,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:42:01,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26 2026-02-10T11:42:01,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:42:01,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37 2026-02-10T11:42:01,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:42:01,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1 2026-02-10T11:42:01,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:42:01,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26 2026-02-10T11:42:01,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:42:02,000 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39 2026-02-10T11:42:02,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:42:02,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44 2026-02-10T11:42:02,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:42:02,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9 2026-02-10T11:42:02,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:42:02,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32 2026-02-10T11:42:02,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:42:02,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31 2026-02-10T11:42:02,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:42:02,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19 2026-02-10T11:42:02,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:42:02,022 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18 2026-02-10T11:42:02,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:42:02,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16 2026-02-10T11:42:02,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:42:02,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21 2026-02-10T11:42:02,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:42:02,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41 2026-02-10T11:42:02,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:42:02,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1 2026-02-10T11:42:02,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:42:02,043 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18 2026-02-10T11:42:02,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:42:02,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12 2026-02-10T11:42:02,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:42:02,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29 2026-02-10T11:42:02,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:42:02,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2 2026-02-10T11:42:02,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:42:02,059 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17 2026-02-10T11:42:02,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:42:02,063 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25 2026-02-10T11:42:02,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:42:02,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40 2026-02-10T11:42:02,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:42:02,071 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27 2026-02-10T11:42:02,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:42:02,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40 2026-02-10T11:42:02,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:42:02,081 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3 2026-02-10T11:42:02,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:42:02,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24 2026-02-10T11:42:02,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:42:02,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10 2026-02-10T11:42:02,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:42:02,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13 2026-02-10T11:42:02,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:42:02,098 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20 2026-02-10T11:42:02,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:42:02,102 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30 2026-02-10T11:42:02,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:42:02,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33 2026-02-10T11:42:02,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:42:02,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4 2026-02-10T11:42:02,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:42:02,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8 2026-02-10T11:42:02,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:42:02,120 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22 2026-02-10T11:42:02,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:42:02,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42 2026-02-10T11:42:02,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:42:02,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15 2026-02-10T11:42:02,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:42:02,131 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3 2026-02-10T11:42:02,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:42:02,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23 2026-02-10T11:42:02,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:42:02,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24 2026-02-10T11:42:02,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:42:02,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11 2026-02-10T11:42:02,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:42:02,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42 2026-02-10T11:42:02,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:42:02,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39 2026-02-10T11:42:02,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:42:02,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36 2026-02-10T11:42:02,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:42:02,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12 2026-02-10T11:42:02,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:42:02,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5 2026-02-10T11:42:02,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:42:02,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23 2026-02-10T11:42:02,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:42:02,174 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4 2026-02-10T11:42:02,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:42:02,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43 2026-02-10T11:42:02,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:42:02,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2 2026-02-10T11:42:02,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:42:02,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15 2026-02-10T11:42:02,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:42:02,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36 2026-02-10T11:42:02,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:42:02,195 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37 2026-02-10T11:42:02,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:42:02,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35 2026-02-10T11:42:02,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:42:02,202 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19 2026-02-10T11:42:02,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:42:02,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28 2026-02-10T11:42:02,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:42:02,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33 2026-02-10T11:42:02,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:42:02,215 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35 2026-02-10T11:42:02,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:42:02,219 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5 2026-02-10T11:42:02,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:42:02,223 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11 2026-02-10T11:42:02,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:42:02,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45 2026-02-10T11:42:02,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:42:02,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20 2026-02-10T11:42:02,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:42:02,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38 2026-02-10T11:42:02,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:42:02,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44 2026-02-10T11:42:02,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:42:02,244 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16 2026-02-10T11:42:02,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:42:02,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28 2026-02-10T11:42:02,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:42:02,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17 2026-02-10T11:42:02,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:42:02,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25 2026-02-10T11:42:02,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:42:02,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30 2026-02-10T11:42:02,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:42:02,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7 2026-02-10T11:42:02,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:42:02,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8 2026-02-10T11:42:02,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:42:02,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41 2026-02-10T11:42:02,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:42:02,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13 2026-02-10T11:42:02,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:42:02,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6 2026-02-10T11:42:02,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:42:02,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10 2026-02-10T11:42:02,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21 2026-02-10T11:42:02,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:42:02,290 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8 2026-02-10T11:42:02,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:42:02,295 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B 2026-02-10T11:42:02,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:42:02,299 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B 2026-02-10T11:42:02,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:42:02,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B 2026-02-10T11:42:02,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:42:02,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19 2026-02-10T11:42:02,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:42:02,311 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B 2026-02-10T11:42:02,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:42:02,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A 2026-02-10T11:42:02,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:42:02,319 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16 2026-02-10T11:42:02,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:42:02,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9 2026-02-10T11:42:02,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:42:02,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B 2026-02-10T11:42:02,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:42:02,332 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A 2026-02-10T11:42:02,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:42:02,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B 2026-02-10T11:42:02,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:42:02,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B 2026-02-10T11:42:02,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:42:02,346 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12 2026-02-10T11:42:02,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:42:02,350 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A 2026-02-10T11:42:02,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:42:02,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B 2026-02-10T11:42:02,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:42:02,359 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B 2026-02-10T11:42:02,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:42:02,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A 2026-02-10T11:42:02,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:42:02,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A 2026-02-10T11:42:02,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:42:02,373 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B 2026-02-10T11:42:02,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:42:02,377 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A 2026-02-10T11:42:02,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:42:02,381 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20 2026-02-10T11:42:02,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:42:02,384 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A 2026-02-10T11:42:02,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:42:02,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A 2026-02-10T11:42:02,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:42:02,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4 2026-02-10T11:42:02,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:42:02,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A 2026-02-10T11:42:02,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:42:02,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A 2026-02-10T11:42:02,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:42:02,405 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B 2026-02-10T11:42:02,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:42:02,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B 2026-02-10T11:42:02,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:42:02,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A 2026-02-10T11:42:02,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:42:02,417 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A 2026-02-10T11:42:02,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:42:02,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3 2026-02-10T11:42:02,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:42:02,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B 2026-02-10T11:42:02,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:42:02,430 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A 2026-02-10T11:42:02,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:42:02,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A 2026-02-10T11:42:02,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:42:02,437 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A 2026-02-10T11:42:02,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:42:02,441 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A 2026-02-10T11:42:02,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:42:02,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14 2026-02-10T11:42:02,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:42:02,450 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2 2026-02-10T11:42:02,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:42:02,454 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7 2026-02-10T11:42:02,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:42:02,457 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21 2026-02-10T11:42:02,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:42:02,461 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B 2026-02-10T11:42:02,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:42:02,465 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B 2026-02-10T11:42:02,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:42:02,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B 2026-02-10T11:42:02,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:42:02,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A 2026-02-10T11:42:02,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:42:02,477 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11 2026-02-10T11:42:02,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:42:02,481 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B 2026-02-10T11:42:02,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:42:02,485 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5 2026-02-10T11:42:02,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:42:02,489 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1 2026-02-10T11:42:02,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:42:02,493 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B 2026-02-10T11:42:02,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:42:02,498 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18 2026-02-10T11:42:02,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:42:02,502 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17 2026-02-10T11:42:02,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:42:02,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A 2026-02-10T11:42:02,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:42:02,509 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6 2026-02-10T11:42:02,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:42:02,513 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A 2026-02-10T11:42:02,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:42:02,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B 2026-02-10T11:42:02,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:42:02,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B 2026-02-10T11:42:02,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:42:02,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10 2026-02-10T11:42:02,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:42:02,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B 2026-02-10T11:42:02,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:42:02,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13 2026-02-10T11:42:02,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:42:02,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A 2026-02-10T11:42:02,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:42:02,541 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15 2026-02-10T11:42:02,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:42:02,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A 2026-02-10T11:42:02,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6 2026-02-10T11:42:02,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:42:02,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B 2026-02-10T11:42:02,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:42:02,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B 2026-02-10T11:42:02,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:42:02,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22 2026-02-10T11:42:02,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:42:02,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25 2026-02-10T11:42:02,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:42:02,565 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23 2026-02-10T11:42:02,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:42:02,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B 2026-02-10T11:42:02,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:42:02,572 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24 2026-02-10T11:42:02,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:42:02,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B 2026-02-10T11:42:02,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:42:02,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B 2026-02-10T11:42:02,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:42:02,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A 2026-02-10T11:42:02,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:42:02,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A 2026-02-10T11:42:02,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:42:02,592 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A 2026-02-10T11:42:02,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:42:02,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A 2026-02-10T11:42:02,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:42:02,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26 2026-02-10T11:42:02,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:42:02,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A 2026-02-10T11:42:02,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:42:02,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B 2026-02-10T11:42:02,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:42:02,612 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27 2026-02-10T11:42:02,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:42:02,616 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A 2026-02-10T11:42:02,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10 2026-02-10T11:42:02,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:02,621 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:02,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:02,625 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:02,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:02,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:02,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:02,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:02,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:02,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:02,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:02,639 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:02,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:02,644 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:02,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:02,649 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:02,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:02,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:02,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:02,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:02,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:02,660 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:02,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:02,665 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:02,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:02,669 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:02,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:02,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:02,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:02,676 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:02,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:02,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:02,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:02,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:02,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:02,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:02,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:02,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:02,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:02,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:02,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22 2026-02-10T11:42:02,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:42:02,705 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a 2026-02-10T11:42:02,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:42:02,710 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a 2026-02-10T11:42:02,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:42:02,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b 2026-02-10T11:42:02,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:42:02,717 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b 2026-02-10T11:42:02,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:42:02,720 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19 2026-02-10T11:42:02,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:42:02,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a 2026-02-10T11:42:02,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:42:02,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16 2026-02-10T11:42:02,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:42:02,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b 2026-02-10T11:42:02,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:42:02,737 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a 2026-02-10T11:42:02,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:42:02,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a 2026-02-10T11:42:02,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:42:02,744 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/22 2026-02-10T11:42:02,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:42:02,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a 2026-02-10T11:42:02,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:42:02,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b 2026-02-10T11:42:02,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:42:02,757 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b 2026-02-10T11:42:02,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:42:02,761 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12 2026-02-10T11:42:02,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:42:02,765 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a 2026-02-10T11:42:02,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:42:02,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b 2026-02-10T11:42:02,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:42:02,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20 2026-02-10T11:42:02,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:42:02,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a 2026-02-10T11:42:02,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:42:02,782 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04 2026-02-10T11:42:02,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:42:02,786 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a 2026-02-10T11:42:02,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:42:02,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a 2026-02-10T11:42:02,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:42:02,793 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09 2026-02-10T11:42:02,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:42:02,796 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a 2026-02-10T11:42:02,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:42:02,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06 2026-02-10T11:42:02,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:42:02,806 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a 2026-02-10T11:42:02,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:42:02,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14 2026-02-10T11:42:02,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:42:02,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b 2026-02-10T11:42:02,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:42:02,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b 2026-02-10T11:42:02,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:42:02,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03 2026-02-10T11:42:02,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:42:02,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a 2026-02-10T11:42:02,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:42:02,829 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a 2026-02-10T11:42:02,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:42:02,833 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a 2026-02-10T11:42:02,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:42:02,837 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21 2026-02-10T11:42:02,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:42:02,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b 2026-02-10T11:42:02,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:42:02,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/01 2026-02-10T11:42:02,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:42:02,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/08 2026-02-10T11:42:02,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:42:02,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b 2026-02-10T11:42:02,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:42:02,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/11 2026-02-10T11:42:02,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:42:02,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a 2026-02-10T11:42:02,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:42:02,863 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b 2026-02-10T11:42:02,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:42:02,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a 2026-02-10T11:42:02,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:42:02,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/07 2026-02-10T11:42:02,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:42:02,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a 2026-02-10T11:42:02,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:42:02,880 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/18 2026-02-10T11:42:02,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:42:02,884 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17 2026-02-10T11:42:02,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:42:02,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b 2026-02-10T11:42:02,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:42:02,892 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a 2026-02-10T11:42:02,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:42:02,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/10 2026-02-10T11:42:02,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:42:02,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/05 2026-02-10T11:42:02,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:42:02,905 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a 2026-02-10T11:42:02,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:42:02,909 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a 2026-02-10T11:42:02,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:42:02,913 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/02 2026-02-10T11:42:02,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:42:02,918 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/13 2026-02-10T11:42:02,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:42:02,922 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/15 2026-02-10T11:42:02,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:42:02,925 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b 2026-02-10T11:42:02,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:42:02,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a 2026-02-10T11:42:02,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL 2026-02-10T11:42:02,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:02,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:02,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:02,939 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:02,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:02,943 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:02,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:02,947 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:02,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:02,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:02,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:02,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:02,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:02,960 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:02,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:02,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:02,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:02,968 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:02,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:02,973 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:02,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:02,976 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:02,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:02,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:02,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:02,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:02,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:02,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:02,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:02,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:02,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:02,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:03,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:03,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:03,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:03,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:03,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:03,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:03,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:03,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:03,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:03,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:03,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:03,022 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:03,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:03,025 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:03,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:03,029 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:03,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:03,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:03,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:03,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:03,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:03,041 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:03,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:03,045 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:03,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:03,049 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:03,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:03,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:03,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:03,056 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:03,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:03,060 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:03,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:03,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:03,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:03,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:03,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:03,074 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:03,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:03,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:03,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:03,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:03,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:03,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:03,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:03,089 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:03,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:03,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:03,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:03,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:03,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:03,102 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:03,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:03,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:03,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:03,110 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:03,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:03,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:03,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:03,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:03,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:03,121 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:03,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:03,125 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:03,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:03,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:03,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:03,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:03,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:03,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:03,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:03,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:03,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:03,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:03,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:03,151 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:03,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:03,155 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:03,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:03,159 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:03,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:03,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:03,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:03,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:03,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:03,171 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:03,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:03,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:03,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:03,179 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:03,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:03,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:03,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:03,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:03,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:03,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:03,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:03,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:03,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP 2026-02-10T11:42:03,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:42:03,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f 2026-02-10T11:42:03,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:42:03,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1 2026-02-10T11:42:03,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:42:03,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l 2026-02-10T11:42:03,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:42:03,214 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l 2026-02-10T11:42:03,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:42:03,218 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22 2026-02-10T11:42:03,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:03,222 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:03,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:42:03,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f 2026-02-10T11:42:03,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:03,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:03,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:42:03,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2 2026-02-10T11:42:03,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:03,239 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:03,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:03,243 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:03,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:42:03,248 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant 2026-02-10T11:42:03,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:42:03,252 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2 2026-02-10T11:42:03,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28 2026-02-10T11:42:03,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:03,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:03,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:03,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:03,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:03,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:03,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:03,272 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:03,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:03,278 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:03,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:03,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:03,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:03,285 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:03,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:03,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:03,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:03,293 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:03,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:03,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:03,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:03,300 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:03,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:03,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:03,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:03,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:03,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:03,311 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:03,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:03,314 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:03,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:03,318 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:03,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:03,321 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:03,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:03,325 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:03,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:03,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:03,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:03,333 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:03,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:03,337 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:03,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:03,341 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:03,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:03,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:03,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:03,349 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:03,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:03,353 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:03,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:03,357 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:03,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:03,361 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:03,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:03,365 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:03,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:03,369 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:03,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:03,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:03,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:03,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:03,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:03,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:03,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:03,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:03,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:03,388 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:03,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:03,391 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:03,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:03,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:03,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:03,399 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:03,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:03,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:03,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP 2026-02-10T11:42:03,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:42:03,409 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8 2026-02-10T11:42:03,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:42:03,413 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30 2026-02-10T11:42:03,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:03,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:03,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:42:03,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43 2026-02-10T11:42:03,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:42:03,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c 2026-02-10T11:42:03,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:42:03,430 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na 2026-02-10T11:42:03,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:42:03,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19 2026-02-10T11:42:03,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:03,437 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:03,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:03,441 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:03,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:03,445 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:03,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:42:03,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl 2026-02-10T11:42:03,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:03,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:03,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:42:03,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o 2026-02-10T11:42:03,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:42:03,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45 2026-02-10T11:42:03,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:42:03,464 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22 2026-02-10T11:42:03,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:42:03,469 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25 2026-02-10T11:42:03,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:42:03,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12 2026-02-10T11:42:03,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:42:03,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48 2026-02-10T11:42:03,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:42:03,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20 2026-02-10T11:42:03,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:42:03,484 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al 2026-02-10T11:42:03,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:03,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:03,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:42:03,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s 2026-02-10T11:42:03,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:03,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:03,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:42:03,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li 2026-02-10T11:42:03,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:42:03,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+ 2026-02-10T11:42:03,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:42:03,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+ 2026-02-10T11:42:03,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:42:03,514 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n 2026-02-10T11:42:03,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:42:03,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+ 2026-02-10T11:42:03,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:03,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:03,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:03,524 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:03,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:42:03,528 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg 2026-02-10T11:42:03,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:03,531 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:03,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:03,536 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:03,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:03,540 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:03,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:03,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:03,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:42:03,548 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p 2026-02-10T11:42:03,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:42:03,552 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14 2026-02-10T11:42:03,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:03,555 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:03,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:42:03,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51 2026-02-10T11:42:03,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:42:03,562 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44 2026-02-10T11:42:03,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:42:03,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b 2026-02-10T11:42:03,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:42:03,570 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+ 2026-02-10T11:42:03,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:03,574 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:03,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:03,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:03,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:42:03,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+ 2026-02-10T11:42:03,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:42:03,587 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+ 2026-02-10T11:42:03,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:03,592 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:03,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:42:03,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37 2026-02-10T11:42:03,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:42:03,600 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11 2026-02-10T11:42:03,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:03,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:03,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:42:03,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137 2026-02-10T11:42:03,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:42:03,614 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18 2026-02-10T11:42:03,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:42:03,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f 2026-02-10T11:42:03,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:42:03,622 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26 2026-02-10T11:42:03,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:42:03,625 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+ 2026-02-10T11:42:03,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:03,629 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:03,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:03,633 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:03,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:03,637 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:03,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:42:03,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+ 2026-02-10T11:42:03,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:42:03,644 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13 2026-02-10T11:42:03,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:42:03,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+ 2026-02-10T11:42:03,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:42:03,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34 2026-02-10T11:42:03,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:42:03,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+ 2026-02-10T11:42:03,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:42:03,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+ 2026-02-10T11:42:03,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:42:03,661 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be 2026-02-10T11:42:03,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:42:03,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si 2026-02-10T11:42:03,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:03,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:03,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:03,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:03,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:03,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:03,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:42:03,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h 2026-02-10T11:42:03,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:42:03,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+ 2026-02-10T11:42:03,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13 2026-02-10T11:42:03,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:03,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:03,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:42:03,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6 2026-02-10T11:42:03,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:03,700 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:03,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:03,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:03,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:42:03,707 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf 2026-02-10T11:42:03,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:03,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:03,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:42:03,715 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3 2026-02-10T11:42:03,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:42:03,719 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 2026-02-10T11:42:03,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:42:03,723 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 2026-02-10T11:42:03,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:42:03,727 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 2026-02-10T11:42:03,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:42:03,732 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 2026-02-10T11:42:03,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:42:03,736 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 2026-02-10T11:42:03,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:42:03,740 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 2026-02-10T11:42:03,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:42:03,744 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 2026-02-10T11:42:03,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:42:03,748 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4 2026-02-10T11:42:03,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:42:03,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3 2026-02-10T11:42:03,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:42:03,756 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 2026-02-10T11:42:03,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:03,761 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:03,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:42:03,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2 2026-02-10T11:42:03,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:42:03,770 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 2026-02-10T11:42:03,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:42:03,774 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 2026-02-10T11:42:03,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:03,778 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:03,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:42:03,783 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 2026-02-10T11:42:03,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:42:03,786 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5 2026-02-10T11:42:03,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:42:03,790 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 2026-02-10T11:42:03,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:42:03,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o 2026-02-10T11:42:03,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:03,798 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:03,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:42:03,802 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 2026-02-10T11:42:03,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:03,806 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:03,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4 2026-02-10T11:42:03,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:03,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:03,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:03,819 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:03,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:03,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:03,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:03,827 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:03,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:03,832 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:03,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:03,836 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:03,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:03,841 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:03,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:03,845 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:03,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:03,849 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:03,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:03,853 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:03,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:03,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:03,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:03,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:03,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:03,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:03,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:03,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:03,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:03,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:03,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:03,877 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:03,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:03,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:03,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:03,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:03,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:03,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:03,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:03,892 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:03,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:03,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:03,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:03,900 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:03,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:03,904 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:03,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:03,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:03,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:03,912 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:03,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:03,916 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:03,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:03,920 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:03,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:03,924 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:03,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:03,928 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:03,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:03,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:03,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:03,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:03,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:03,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:03,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:03,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:03,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:03,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:03,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:03,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:03,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:03,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:03,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:03,960 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:03,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:03,965 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:03,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:03,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:03,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:03,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:03,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:03,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:03,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:03,983 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:03,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:03,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:03,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:03,991 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:03,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:03,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:03,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:04,000 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:04,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:04,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:04,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:04,009 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:04,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:04,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:04,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:04,018 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:04,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:04,022 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:04,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:04,026 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:04,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:04,030 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:04,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:04,034 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:04,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:04,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:04,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:04,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:04,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:04,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:04,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:04,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:04,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:04,055 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:04,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:04,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:04,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:04,063 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:04,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:04,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:04,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:04,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:04,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:04,077 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:04,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:04,080 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:04,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:04,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:04,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:04,089 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:04,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:04,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:04,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:04,098 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:04,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:04,102 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:04,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:04,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:04,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:04,112 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:04,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:04,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:04,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:04,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:04,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:04,126 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:04,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:04,130 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:04,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:04,135 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:04,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:04,140 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:04,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:04,144 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:04,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:04,148 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:04,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:04,152 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:04,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:04,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:04,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:04,163 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:04,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:04,167 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:04,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:04,170 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:04,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:04,174 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:04,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:04,177 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:04,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:04,181 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:04,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:04,184 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:04,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:04,188 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:04,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:04,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:04,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:04,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:04,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:04,201 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:04,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:04,206 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:04,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:04,211 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:04,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:04,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:04,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:04,220 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:04,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:04,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:04,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:04,230 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:04,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:04,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:04,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24 2026-02-10T11:42:04,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:04,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:04,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:04,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:04,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:04,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:04,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:04,256 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:04,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:04,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:04,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:04,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:04,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:04,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:04,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:04,271 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:04,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:04,275 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:04,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:04,279 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:04,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:04,283 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:04,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:04,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:04,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:04,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:04,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:04,296 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:04,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:04,300 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:04,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:04,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:04,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:04,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:04,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:04,312 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:04,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:04,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:04,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:42:04,320 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 2026-02-10T11:42:04,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:04,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:04,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:42:04,328 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether 2026-02-10T11:42:04,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:04,332 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:04,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:04,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:04,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:42:04,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S 2026-02-10T11:42:04,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:42:04,344 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3 2026-02-10T11:42:04,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:04,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:04,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:04,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:04,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:04,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:04,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:42:04,359 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3 2026-02-10T11:42:04,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:04,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:04,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:04,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:04,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:04,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:04,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:04,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:04,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:04,379 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:04,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:42:04,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3 2026-02-10T11:42:04,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:04,387 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:04,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:04,391 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:04,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:42:04,395 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O 2026-02-10T11:42:04,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:42:04,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3 2026-02-10T11:42:04,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:42:04,401 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2 2026-02-10T11:42:04,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:42:04,405 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 2026-02-10T11:42:04,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:42:04,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3 2026-02-10T11:42:04,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:04,412 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:04,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:04,415 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:04,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:04,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:04,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:42:04,424 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether 2026-02-10T11:42:04,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:04,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:04,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF 2026-02-10T11:42:04,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:42:04,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10 2026-02-10T11:42:04,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:42:04,439 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2 2026-02-10T11:42:04,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:42:04,444 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4 2026-02-10T11:42:04,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:42:04,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4 2026-02-10T11:42:04,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:42:04,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3 2026-02-10T11:42:04,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:42:04,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5 2026-02-10T11:42:04,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:42:04,459 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13 2026-02-10T11:42:04,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:42:04,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15 2026-02-10T11:42:04,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:42:04,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11 2026-02-10T11:42:04,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:42:04,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14 2026-02-10T11:42:04,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:42:04,473 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2 2026-02-10T11:42:04,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:42:04,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3 2026-02-10T11:42:04,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:42:04,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9 2026-02-10T11:42:04,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:42:04,483 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6 2026-02-10T11:42:04,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:42:04,488 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12 2026-02-10T11:42:04,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:42:04,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1 2026-02-10T11:42:04,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:42:04,496 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7 2026-02-10T11:42:04,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:42:04,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8 2026-02-10T11:42:04,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:42:04,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1 2026-02-10T11:42:04,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11 2026-02-10T11:42:04,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:42:04,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of 2026-02-10T11:42:04,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:42:04,515 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2 2026-02-10T11:42:04,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:42:04,519 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co 2026-02-10T11:42:04,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:42:04,523 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c 2026-02-10T11:42:04,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:04,526 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:04,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:42:04,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn 2026-02-10T11:42:04,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:42:04,534 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so 2026-02-10T11:42:04,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:04,538 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:04,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:42:04,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno 2026-02-10T11:42:04,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:42:04,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h 2026-02-10T11:42:04,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:42:04,549 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch 2026-02-10T11:42:04,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:42:04,553 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane 2026-02-10T11:42:04,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:42:04,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo 2026-02-10T11:42:04,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:04,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:04,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:04,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:04,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:42:04,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2 2026-02-10T11:42:04,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:04,572 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:04,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:04,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:04,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:42:04,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs 2026-02-10T11:42:04,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:42:04,584 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic 2026-02-10T11:42:04,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:42:04,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf 2026-02-10T11:42:04,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:42:04,592 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3 2026-02-10T11:42:04,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:42:04,596 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc 2026-02-10T11:42:04,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo 2026-02-10T11:42:04,599 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 2026-02-10T11:42:04,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:04,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:04,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:42:04,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl 2026-02-10T11:42:04,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:04,611 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:04,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:42:04,616 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2 2026-02-10T11:42:04,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:04,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:04,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:42:04,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o 2026-02-10T11:42:04,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:42:04,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3 2026-02-10T11:42:04,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:42:04,632 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 2026-02-10T11:42:04,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:42:04,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs 2026-02-10T11:42:04,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:42:04,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4 2026-02-10T11:42:04,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:04,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:04,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:42:04,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco 2026-02-10T11:42:04,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:42:04,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc 2026-02-10T11:42:04,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:42:04,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3 2026-02-10T11:42:04,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:42:04,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene 2026-02-10T11:42:04,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:42:04,661 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o 2026-02-10T11:42:04,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:42:04,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne 2026-02-10T11:42:04,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:42:04,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene 2026-02-10T11:42:04,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:04,675 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:04,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:04,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:04,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:42:04,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co 2026-02-10T11:42:04,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:42:04,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3 2026-02-10T11:42:04,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:42:04,691 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs 2026-02-10T11:42:04,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:42:04,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof 2026-02-10T11:42:04,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:42:04,700 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co 2026-02-10T11:42:04,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:04,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:04,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:42:04,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2 2026-02-10T11:42:04,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:42:04,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2 2026-02-10T11:42:04,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:42:04,717 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene 2026-02-10T11:42:04,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:42:04,721 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4 2026-02-10T11:42:04,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:42:04,726 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf 2026-02-10T11:42:04,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:42:04,730 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al 2026-02-10T11:42:04,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:42:04,734 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s 2026-02-10T11:42:04,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:42:04,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf 2026-02-10T11:42:04,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:42:04,743 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2 2026-02-10T11:42:04,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:42:04,747 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 2026-02-10T11:42:04,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:04,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:04,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:42:04,755 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2 2026-02-10T11:42:04,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:42:04,760 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2 2026-02-10T11:42:04,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:42:04,764 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n 2026-02-10T11:42:04,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:42:04,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2 2026-02-10T11:42:04,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:04,773 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:04,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:42:04,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2 2026-02-10T11:42:04,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:42:04,781 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2 2026-02-10T11:42:04,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:04,785 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:04,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:42:04,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2 2026-02-10T11:42:04,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:42:04,793 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch 2026-02-10T11:42:04,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:04,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:04,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:42:04,801 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4 2026-02-10T11:42:04,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:42:04,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno 2026-02-10T11:42:04,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:04,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:04,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:04,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:04,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:42:04,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof 2026-02-10T11:42:04,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:42:04,818 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 2026-02-10T11:42:04,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:42:04,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh 2026-02-10T11:42:04,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:42:04,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p 2026-02-10T11:42:04,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:42:04,829 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3 2026-02-10T11:42:04,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:42:04,833 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn 2026-02-10T11:42:04,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:42:04,836 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf 2026-02-10T11:42:04,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:42:04,840 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo 2026-02-10T11:42:04,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:04,843 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:04,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:04,847 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:04,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:42:04,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b 2026-02-10T11:42:04,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:42:04,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3 2026-02-10T11:42:04,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono 2026-02-10T11:42:04,860 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 2026-02-10T11:42:04,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:42:04,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco 2026-02-10T11:42:04,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:42:04,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic 2026-02-10T11:42:04,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:42:04,873 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3 2026-02-10T11:42:04,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:04,877 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:04,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:42:04,881 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn 2026-02-10T11:42:04,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:42:04,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof 2026-02-10T11:42:04,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:42:04,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh 2026-02-10T11:42:04,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:42:04,894 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn 2026-02-10T11:42:04,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:42:04,898 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf 2026-02-10T11:42:04,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:42:04,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4 2026-02-10T11:42:04,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:42:04,908 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2 2026-02-10T11:42:04,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:04,911 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:04,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:42:04,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2 2026-02-10T11:42:04,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono 2026-02-10T11:42:04,918 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 2026-02-10T11:42:04,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:42:04,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif 2026-02-10T11:42:04,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:42:04,925 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol 2026-02-10T11:42:04,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:42:04,930 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s 2026-02-10T11:42:04,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:42:04,934 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2 2026-02-10T11:42:04,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:42:04,938 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf 2026-02-10T11:42:04,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:42:04,942 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl 2026-02-10T11:42:04,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:04,946 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:04,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:42:04,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio 2026-02-10T11:42:04,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:42:04,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3 2026-02-10T11:42:04,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:42:04,959 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn 2026-02-10T11:42:04,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:42:04,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl 2026-02-10T11:42:04,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:42:04,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo 2026-02-10T11:42:04,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:42:04,970 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o 2026-02-10T11:42:04,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:42:04,974 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f 2026-02-10T11:42:04,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:04,978 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:04,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:04,981 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:04,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:04,985 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:04,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:04,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:04,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:42:04,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4 2026-02-10T11:42:04,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:42:04,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh 2026-02-10T11:42:04,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo 2026-02-10T11:42:05,000 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 2026-02-10T11:42:05,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:42:05,004 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2 2026-02-10T11:42:05,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:42:05,008 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o 2026-02-10T11:42:05,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:42:05,013 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no 2026-02-10T11:42:05,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:42:05,016 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 2026-02-10T11:42:05,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:42:05,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o 2026-02-10T11:42:05,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:42:05,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3 2026-02-10T11:42:05,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:42:05,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh 2026-02-10T11:42:05,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:42:05,032 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 2026-02-10T11:42:05,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:42:05,036 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo 2026-02-10T11:42:05,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:42:05,040 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh 2026-02-10T11:42:05,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:42:05,045 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf 2026-02-10T11:42:05,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:42:05,048 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 2026-02-10T11:42:05,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:42:05,052 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 2026-02-10T11:42:05,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:42:05,056 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2 2026-02-10T11:42:05,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:42:05,060 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3 2026-02-10T11:42:05,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:05,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:05,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:05,067 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:05,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:42:05,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be 2026-02-10T11:42:05,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:05,077 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:05,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:42:05,081 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si 2026-02-10T11:42:05,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:42:05,085 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl 2026-02-10T11:42:05,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:05,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:05,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:42:05,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2 2026-02-10T11:42:05,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:42:05,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2 2026-02-10T11:42:05,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:42:05,100 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn 2026-02-10T11:42:05,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:42:05,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih 2026-02-10T11:42:05,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:42:05,107 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h 2026-02-10T11:42:05,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:42:05,111 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh 2026-02-10T11:42:05,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27 2026-02-10T11:42:05,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:05,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:05,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:05,123 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:05,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:05,128 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:05,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:05,132 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:05,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:05,136 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:05,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:05,139 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:05,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:05,143 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:05,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:05,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:05,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:05,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:05,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:05,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:05,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:05,157 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:05,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:05,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:05,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:05,165 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:05,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:05,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:05,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:05,172 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:05,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:05,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:05,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:05,180 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:05,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:05,184 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:05,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:05,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:05,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:05,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:05,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:05,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:05,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:05,200 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:05,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:05,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:05,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:05,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:05,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:05,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:05,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:05,214 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:05,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:05,217 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:05,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:05,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:05,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:05,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:05,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:05,228 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:05,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:05,231 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:05,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:05,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:05,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:05,238 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:05,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:05,242 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:05,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:05,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:05,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:05,250 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:05,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:05,254 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:05,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:05,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:05,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:05,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:05,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:05,267 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:05,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC 2026-02-10T11:42:05,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:05,273 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:05,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:05,276 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:05,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:05,280 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:05,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:05,283 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:05,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:42:05,288 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch 2026-02-10T11:42:05,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:05,293 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:05,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:42:05,297 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz 2026-02-10T11:42:05,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:05,300 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:05,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:05,304 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:05,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:05,308 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:05,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:05,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:05,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:05,318 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:05,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:42:05,323 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2 2026-02-10T11:42:05,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:05,330 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:05,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:05,335 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:05,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:42:05,339 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2 2026-02-10T11:42:05,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:05,343 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:05,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:05,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:05,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:05,351 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:05,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:05,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:05,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:05,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:05,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21 2026-02-10T11:42:05,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:42:05,367 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4 2026-02-10T11:42:05,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:42:05,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2 2026-02-10T11:42:05,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:42:05,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6 2026-02-10T11:42:05,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:42:05,380 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e 2026-02-10T11:42:05,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:42:05,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me 2026-02-10T11:42:05,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:42:05,386 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5 2026-02-10T11:42:05,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:42:05,390 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2 2026-02-10T11:42:05,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:42:05,394 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1 2026-02-10T11:42:05,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:42:05,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2 2026-02-10T11:42:05,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:42:05,402 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3 2026-02-10T11:42:05,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:42:05,406 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1 2026-02-10T11:42:05,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:42:05,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e 2026-02-10T11:42:05,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:42:05,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr 2026-02-10T11:42:05,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:42:05,417 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3 2026-02-10T11:42:05,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:42:05,421 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1 2026-02-10T11:42:05,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:42:05,426 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p 2026-02-10T11:42:05,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:42:05,430 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3 2026-02-10T11:42:05,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:42:05,435 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e 2026-02-10T11:42:05,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:42:05,440 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e 2026-02-10T11:42:05,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:42:05,444 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1 2026-02-10T11:42:05,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:42:05,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene 2026-02-10T11:42:05,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:42:05,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1 2026-02-10T11:42:05,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:42:05,455 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1 2026-02-10T11:42:05,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:42:05,458 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2 2026-02-10T11:42:05,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:42:05,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3 2026-02-10T11:42:05,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:42:05,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int 2026-02-10T11:42:05,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:42:05,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1 2026-02-10T11:42:05,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:42:05,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e 2026-02-10T11:42:05,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:42:05,479 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2 2026-02-10T11:42:05,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:42:05,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2 2026-02-10T11:42:05,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:42:05,495 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1 2026-02-10T11:42:05,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:42:05,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e 2026-02-10T11:42:05,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:42:05,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3 2026-02-10T11:42:05,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:42:05,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1 2026-02-10T11:42:05,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:42:05,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2 2026-02-10T11:42:05,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:42:05,513 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p 2026-02-10T11:42:05,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:42:05,517 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e 2026-02-10T11:42:05,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:42:05,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e 2026-02-10T11:42:05,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:42:05,524 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e 2026-02-10T11:42:05,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:42:05,528 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3 2026-02-10T11:42:05,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:42:05,532 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e 2026-02-10T11:42:05,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15 2026-02-10T11:42:05,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:42:05,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b 2026-02-10T11:42:05,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:42:05,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c 2026-02-10T11:42:05,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:42:05,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a 2026-02-10T11:42:05,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:42:05,550 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b 2026-02-10T11:42:05,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:42:05,554 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a 2026-02-10T11:42:05,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:42:05,557 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c 2026-02-10T11:42:05,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:42:05,561 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a 2026-02-10T11:42:05,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:42:05,565 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b 2026-02-10T11:42:05,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:42:05,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a 2026-02-10T11:42:05,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:42:05,572 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b 2026-02-10T11:42:05,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:42:05,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b 2026-02-10T11:42:05,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:42:05,580 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b 2026-02-10T11:42:05,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:42:05,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a 2026-02-10T11:42:05,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:42:05,588 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c 2026-02-10T11:42:05,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:42:05,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a 2026-02-10T11:42:05,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:42:05,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a 2026-02-10T11:42:05,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:42:05,601 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d 2026-02-10T11:42:05,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:42:05,604 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b 2026-02-10T11:42:05,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:42:05,608 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a 2026-02-10T11:42:05,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:42:05,612 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a 2026-02-10T11:42:05,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:42:05,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b 2026-02-10T11:42:05,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:42:05,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d 2026-02-10T11:42:05,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:42:05,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a 2026-02-10T11:42:05,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:42:05,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b 2026-02-10T11:42:05,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:42:05,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b 2026-02-10T11:42:05,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10 2026-02-10T11:42:05,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:05,647 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:05,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:05,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:05,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:05,654 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:05,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:05,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:05,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:05,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:05,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:05,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:05,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:05,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:05,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:05,673 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:05,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:05,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:05,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:05,680 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:05,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:05,684 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:05,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:05,688 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:05,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:05,692 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:05,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:05,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:05,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:05,699 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:05,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:05,708 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:05,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:05,712 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:05,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:05,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:05,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:42:05,720 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be 2026-02-10T11:42:05,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:05,724 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:05,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26 2026-02-10T11:42:05,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:42:05,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly 2026-02-10T11:42:05,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:42:05,735 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys 2026-02-10T11:42:05,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:42:05,739 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp 2026-02-10T11:42:05,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:42:05,742 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6 2026-02-10T11:42:05,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:42:05,747 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp 2026-02-10T11:42:05,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:42:05,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6 2026-02-10T11:42:05,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:42:05,757 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C 2026-02-10T11:42:05,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:42:05,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T 2026-02-10T11:42:05,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:42:05,766 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol 2026-02-10T11:42:05,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:42:05,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap 2026-02-10T11:42:05,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:05,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:05,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:42:05,779 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2 2026-02-10T11:42:05,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:42:05,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2 2026-02-10T11:42:05,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:42:05,789 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p 2026-02-10T11:42:05,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:42:05,793 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op 2026-02-10T11:42:05,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:05,797 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:05,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:05,802 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:05,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:42:05,806 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6 2026-02-10T11:42:05,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:42:05,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4 2026-02-10T11:42:05,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:05,814 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:05,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:42:05,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass 2026-02-10T11:42:05,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:42:05,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp 2026-02-10T11:42:05,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:42:05,826 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p 2026-02-10T11:42:05,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:42:05,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3 2026-02-10T11:42:05,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:42:05,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G 2026-02-10T11:42:05,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:42:05,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p 2026-02-10T11:42:05,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:05,842 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:05,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:42:05,846 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp 2026-02-10T11:42:05,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:42:05,851 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4 2026-02-10T11:42:05,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:42:05,855 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A 2026-02-10T11:42:05,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:42:05,860 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp 2026-02-10T11:42:05,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:05,864 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:05,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:42:05,868 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2 2026-02-10T11:42:05,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:42:05,872 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p 2026-02-10T11:42:05,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:42:05,876 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s 2026-02-10T11:42:05,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:42:05,880 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp 2026-02-10T11:42:05,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:05,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:05,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:42:05,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl 2026-02-10T11:42:05,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:42:05,894 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3 2026-02-10T11:42:05,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:42:05,897 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp 2026-02-10T11:42:05,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:05,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:05,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:42:05,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p 2026-02-10T11:42:05,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:42:05,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o 2026-02-10T11:42:05,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:05,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:05,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:42:05,918 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol 2026-02-10T11:42:05,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:42:05,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s 2026-02-10T11:42:05,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:42:05,925 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp 2026-02-10T11:42:05,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:42:05,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p 2026-02-10T11:42:05,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:42:05,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8 2026-02-10T11:42:05,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:42:05,937 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p 2026-02-10T11:42:05,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:42:05,941 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p 2026-02-10T11:42:05,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:42:05,944 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp 2026-02-10T11:42:05,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76 2026-02-10T11:42:05,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:42:05,951 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17 2026-02-10T11:42:05,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:42:05,955 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2 2026-02-10T11:42:05,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:42:05,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co 2026-02-10T11:42:05,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:42:05,963 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn 2026-02-10T11:42:05,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:42:05,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl- 2026-02-10T11:42:05,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:42:05,969 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05 2026-02-10T11:42:05,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:05,973 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:05,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:42:05,976 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f 2026-02-10T11:42:05,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:42:05,980 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl 2026-02-10T11:42:05,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:42:05,984 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4 2026-02-10T11:42:05,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:05,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:05,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:42:05,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3 2026-02-10T11:42:05,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:42:05,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4 2026-02-10T11:42:06,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:42:06,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14 2026-02-10T11:42:06,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:42:06,006 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts 2026-02-10T11:42:06,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:42:06,010 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS 2026-02-10T11:42:06,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:06,014 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:06,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:42:06,017 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20 2026-02-10T11:42:06,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:42:06,021 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc 2026-02-10T11:42:06,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:06,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:06,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:42:06,028 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o 2026-02-10T11:42:06,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:42:06,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07 2026-02-10T11:42:06,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:06,036 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:06,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:42:06,039 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2 2026-02-10T11:42:06,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:42:06,043 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5 2026-02-10T11:42:06,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:42:06,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2 2026-02-10T11:42:06,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:06,050 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:06,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:42:06,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf 2026-02-10T11:42:06,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:42:06,058 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7 2026-02-10T11:42:06,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:42:06,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5 2026-02-10T11:42:06,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:42:06,065 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18 2026-02-10T11:42:06,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:06,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:06,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:42:06,072 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH 2026-02-10T11:42:06,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:42:06,076 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16 2026-02-10T11:42:06,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:42:06,079 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10 2026-02-10T11:42:06,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:42:06,083 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19 2026-02-10T11:42:06,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:06,086 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:06,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:42:06,090 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04 2026-02-10T11:42:06,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:42:06,093 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2 2026-02-10T11:42:06,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:42:06,097 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2 2026-02-10T11:42:06,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:42:06,101 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02 2026-02-10T11:42:06,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:42:06,105 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh- 2026-02-10T11:42:06,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:42:06,108 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8 2026-02-10T11:42:06,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:06,111 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:06,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:42:06,115 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22 2026-02-10T11:42:06,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:42:06,119 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f- 2026-02-10T11:42:06,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:42:06,124 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S 2026-02-10T11:42:06,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:06,127 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:06,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:42:06,132 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts 2026-02-10T11:42:06,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:06,136 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:06,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:06,140 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:06,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:42:06,143 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco 2026-02-10T11:42:06,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:42:06,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15 2026-02-10T11:42:06,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:42:06,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2 2026-02-10T11:42:06,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:42:06,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06 2026-02-10T11:42:06,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:42:06,158 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13 2026-02-10T11:42:06,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:42:06,162 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11 2026-02-10T11:42:06,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:42:06,166 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08 2026-02-10T11:42:06,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:42:06,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf 2026-02-10T11:42:06,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:42:06,173 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts 2026-02-10T11:42:06,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:42:06,176 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O 2026-02-10T11:42:06,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:06,180 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:06,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:42:06,183 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H 2026-02-10T11:42:06,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:42:06,187 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl 2026-02-10T11:42:06,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:06,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:06,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:42:06,194 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f 2026-02-10T11:42:06,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:42:06,197 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12 2026-02-10T11:42:06,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:42:06,201 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots 2026-02-10T11:42:06,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:06,205 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:06,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:42:06,210 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01 2026-02-10T11:42:06,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:42:06,215 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2 2026-02-10T11:42:06,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:42:06,219 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3 2026-02-10T11:42:06,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:42:06,224 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O 2026-02-10T11:42:06,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:42:06,227 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh 2026-02-10T11:42:06,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:06,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:06,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:06,236 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:06,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:06,241 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:06,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:42:06,246 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6 2026-02-10T11:42:06,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:06,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:06,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:42:06,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03 2026-02-10T11:42:06,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:42:06,260 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3 2026-02-10T11:42:06,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:06,264 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:06,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:42:06,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09 2026-02-10T11:42:06,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:42:06,274 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h 2026-02-10T11:42:06,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:06,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:06,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:42:06,292 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21 2026-02-10T11:42:06,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA 2026-02-10T11:42:06,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:06,297 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:06,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:06,301 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:06,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:06,305 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:06,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:06,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:06,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:06,313 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:06,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:06,317 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:06,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:06,322 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:06,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:06,546 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:06,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:06,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:06,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:06,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:06,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:06,568 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:06,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:06,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:06,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:06,578 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:06,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:06,582 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:06,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:06,585 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:06,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:06,589 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:06,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:06,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:06,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:06,598 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:06,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:06,602 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:06,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:06,607 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:06,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:06,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:06,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:06,618 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:06,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:06,623 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:06,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:06,630 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:06,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:06,635 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:06,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:06,641 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:06,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:06,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:06,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:06,651 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:06,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:06,656 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:06,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:06,661 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:06,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:06,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:06,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:06,671 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:06,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:06,677 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:06,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:06,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:06,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:06,689 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:06,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:06,696 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:06,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:06,702 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:06,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:06,709 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:06,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:06,716 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:06,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:06,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:06,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:06,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:06,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:06,738 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:06,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:06,744 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:06,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:06,750 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:06,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:06,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:06,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:06,763 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:06,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:06,769 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:06,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:06,775 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:06,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:06,780 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:06,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:06,785 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:06,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF 2026-02-10T11:42:06,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:42:06,794 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8 2026-02-10T11:42:06,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:42:06,799 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30 2026-02-10T11:42:06,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:42:06,805 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43 2026-02-10T11:42:06,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:42:06,810 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19 2026-02-10T11:42:06,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:42:06,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33 2026-02-10T11:42:06,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:42:06,821 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16 2026-02-10T11:42:06,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:42:06,825 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9 2026-02-10T11:42:06,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:42:06,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42 2026-02-10T11:42:06,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:42:06,834 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41 2026-02-10T11:42:06,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:42:06,838 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45 2026-02-10T11:42:06,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:42:06,843 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22 2026-02-10T11:42:06,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:42:06,848 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28 2026-02-10T11:42:06,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:42:06,852 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36 2026-02-10T11:42:06,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:42:06,856 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25 2026-02-10T11:42:06,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:42:06,861 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12 2026-02-10T11:42:06,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:42:06,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23 2026-02-10T11:42:06,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:42:06,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48 2026-02-10T11:42:06,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:42:06,874 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52 2026-02-10T11:42:06,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:42:06,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49 2026-02-10T11:42:06,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:42:06,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20 2026-02-10T11:42:06,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:42:06,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4 2026-02-10T11:42:06,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:42:06,889 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24 2026-02-10T11:42:06,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:42:06,893 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40 2026-02-10T11:42:06,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:42:06,896 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3 2026-02-10T11:42:06,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:42:06,901 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47 2026-02-10T11:42:06,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:42:06,906 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14 2026-02-10T11:42:06,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:42:06,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51 2026-02-10T11:42:06,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:42:06,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50 2026-02-10T11:42:06,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:42:06,919 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2 2026-02-10T11:42:06,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:42:06,923 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44 2026-02-10T11:42:06,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:42:06,927 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7 2026-02-10T11:42:06,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:42:06,931 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35 2026-02-10T11:42:06,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:42:06,935 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32 2026-02-10T11:42:06,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:42:06,939 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21 2026-02-10T11:42:06,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:42:06,944 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37 2026-02-10T11:42:06,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:42:06,948 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11 2026-02-10T11:42:06,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:42:06,953 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5 2026-02-10T11:42:06,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:42:06,957 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38 2026-02-10T11:42:06,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:42:06,961 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1 2026-02-10T11:42:06,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:42:06,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46 2026-02-10T11:42:06,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:42:06,971 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29 2026-02-10T11:42:06,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:42:06,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18 2026-02-10T11:42:06,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:42:06,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17 2026-02-10T11:42:06,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:42:06,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6 2026-02-10T11:42:06,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:42:06,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26 2026-02-10T11:42:06,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:42:06,990 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10 2026-02-10T11:42:06,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:42:06,993 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39 2026-02-10T11:42:06,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:42:06,997 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13 2026-02-10T11:42:07,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:42:07,001 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34 2026-02-10T11:42:07,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:42:07,005 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15 2026-02-10T11:42:07,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:42:07,009 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27 2026-02-10T11:42:07,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:42:07,012 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31 2026-02-10T11:42:07,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13 2026-02-10T11:42:07,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:42:07,019 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6 2026-02-10T11:42:07,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:42:07,023 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3 2026-02-10T11:42:07,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:42:07,027 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4 2026-02-10T11:42:07,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:42:07,031 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen 2026-02-10T11:42:07,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:07,035 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:07,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:42:07,038 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen 2026-02-10T11:42:07,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:07,042 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:07,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:42:07,047 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2 2026-02-10T11:42:07,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:42:07,051 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2 2026-02-10T11:42:07,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:42:07,054 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4 2026-02-10T11:42:07,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:07,059 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:07,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:42:07,064 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2 2026-02-10T11:42:07,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:42:07,068 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb 2026-02-10T11:42:07,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:07,073 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 2026-02-10T11:42:07,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:07,078 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:07,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:42:07,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage 2026-02-10T11:42:07,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:07,086 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 2026-02-10T11:42:07,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:42:07,091 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip 2026-02-10T11:42:07,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:07,094 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:07,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:07,098 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 2026-02-10T11:42:07,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:07,102 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:07,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:07,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:07,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:42:07,109 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8 2026-02-10T11:42:07,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:07,113 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:07,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:07,117 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:07,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:42:07,121 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL 2026-02-10T11:42:07,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:07,125 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 2026-02-10T11:42:07,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:42:07,128 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be 2026-02-10T11:42:07,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:07,132 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:07,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:07,136 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:07,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4 2026-02-10T11:42:07,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:42:07,141 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 2026-02-10T11:42:07,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:42:07,145 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he 2026-02-10T11:42:07,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:42:07,148 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 2026-02-10T11:42:07,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:42:07,152 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 2026-02-10T11:42:07,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:42:07,155 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 2026-02-10T11:42:07,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:42:07,159 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 2026-02-10T11:42:07,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:42:07,162 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 2026-02-10T11:42:07,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:42:07,165 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 2026-02-10T11:42:07,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:42:07,169 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 2026-02-10T11:42:07,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:42:07,173 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 2026-02-10T11:42:07,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:42:07,176 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 2026-02-10T11:42:07,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:42:07,179 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 2026-02-10T11:42:07,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:42:07,183 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 2026-02-10T11:42:07,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:07,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:07,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:07,190 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:07,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:07,193 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:07,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:42:07,198 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 2026-02-10T11:42:07,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:42:07,205 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 2026-02-10T11:42:07,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:07,208 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:07,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:42:07,211 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 2026-02-10T11:42:07,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:07,215 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:07,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:42:07,218 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 2026-02-10T11:42:07,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:42:07,222 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h 2026-02-10T11:42:07,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21 2026-02-10T11:42:07,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:42:07,228 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444 2026-02-10T11:42:07,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:42:07,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366 2026-02-10T11:42:07,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:42:07,236 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114 2026-02-10T11:42:07,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:07,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:07,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:42:07,244 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99 2026-02-10T11:42:07,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:42:07,247 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224 2026-02-10T11:42:07,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:07,251 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:07,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:07,255 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:07,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:07,259 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:07,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:42:07,263 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691 2026-02-10T11:42:07,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:42:07,268 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357 2026-02-10T11:42:07,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:07,273 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:07,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:42:07,277 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215 2026-02-10T11:42:07,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:07,282 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:07,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:07,286 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:07,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:42:07,290 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412 2026-02-10T11:42:07,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:07,294 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:07,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:42:07,298 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470 2026-02-10T11:42:07,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:42:07,302 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300 2026-02-10T11:42:07,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:07,306 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:07,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:07,309 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:07,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24 2026-02-10T11:42:07,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:07,315 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:07,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:07,320 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:07,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:07,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:07,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:07,327 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:07,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:07,331 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:07,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:07,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:07,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:07,340 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:07,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:07,345 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:07,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:07,348 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:07,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:07,352 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:07,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:07,355 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:07,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:07,359 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:07,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:07,363 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:07,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:07,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:07,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:07,371 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:07,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:07,375 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:07,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:07,378 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:07,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:07,383 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:07,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:07,387 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:07,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:07,392 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:07,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:07,396 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:07,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:07,400 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:07,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:07,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:07,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:07,407 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:07,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:07,410 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:07,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:07,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:07,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:07,418 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:07,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:07,422 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:07,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:07,427 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:07,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:07,431 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:07,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:07,434 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:07,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:07,438 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:07,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:07,442 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:07,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:07,446 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:07,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:07,451 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:07,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:07,454 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:07,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:07,458 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:07,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:07,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:07,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:07,466 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:07,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:07,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:07,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:07,474 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:07,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:07,478 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:07,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:07,491 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:07,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:07,492 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:07,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:07,493 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:07,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:07,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:07,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:07,497 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:07,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:07,501 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:07,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI 2026-02-10T11:42:07,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:07,507 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:07,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:07,510 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:07,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:07,514 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:07,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:07,518 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:07,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:07,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:07,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:07,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:07,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:07,529 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:07,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:07,533 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:07,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:07,537 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:07,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:42:07,541 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 2026-02-10T11:42:07,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:07,544 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:07,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:42:07,548 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 2026-02-10T11:42:07,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:42:07,552 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 2026-02-10T11:42:07,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:07,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:07,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:07,559 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:07,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:42:07,563 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r 2026-02-10T11:42:07,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:07,566 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:07,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:42:07,569 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 2026-02-10T11:42:07,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:07,573 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:07,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:42:07,576 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r 2026-02-10T11:42:07,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:07,579 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:07,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:07,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:07,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:07,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:07,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:07,589 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:07,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:07,593 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:07,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:07,597 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:07,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:07,601 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:07,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:42:07,605 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r 2026-02-10T11:42:07,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:07,609 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:07,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:07,613 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:07,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:42:07,616 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r 2026-02-10T11:42:07,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:07,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:07,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:07,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:07,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:07,628 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:07,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:42:07,632 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r 2026-02-10T11:42:07,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:07,636 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:07,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:07,640 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:07,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:07,643 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:07,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:07,648 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:07,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:07,652 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:07,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:07,655 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:07,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:07,660 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:07,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:07,664 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:07,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:07,668 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:07,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:42:07,671 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 2026-02-10T11:42:07,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:07,674 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:07,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:07,678 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:07,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:07,682 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:07,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:42:07,686 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r 2026-02-10T11:42:07,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:42:07,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r 2026-02-10T11:42:07,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:07,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:07,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:07,698 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:07,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:07,701 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:07,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:42:07,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r 2026-02-10T11:42:07,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:07,709 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:07,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:07,713 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:07,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:07,717 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:07,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:42:07,721 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 2026-02-10T11:42:07,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:07,724 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:07,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:42:07,727 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 2026-02-10T11:42:07,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:07,731 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:07,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34 2026-02-10T11:42:07,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:42:07,737 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27 2026-02-10T11:42:07,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:42:07,741 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32 2026-02-10T11:42:07,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:42:07,745 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34 2026-02-10T11:42:07,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:42:07,749 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22 2026-02-10T11:42:07,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:42:07,752 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31 2026-02-10T11:42:07,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:42:07,756 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21 2026-02-10T11:42:07,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:42:07,760 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34 2026-02-10T11:42:07,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:42:07,764 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7 2026-02-10T11:42:07,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:42:07,767 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9 2026-02-10T11:42:07,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:42:07,770 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29 2026-02-10T11:42:07,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:42:07,774 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26 2026-02-10T11:42:07,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:42:07,777 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14 2026-02-10T11:42:07,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:42:07,781 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1 2026-02-10T11:42:07,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:42:07,784 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26 2026-02-10T11:42:07,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:42:07,788 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9 2026-02-10T11:42:07,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:42:07,791 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32 2026-02-10T11:42:07,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:42:07,796 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31 2026-02-10T11:42:07,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:42:07,800 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19 2026-02-10T11:42:07,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:42:07,804 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18 2026-02-10T11:42:07,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:42:07,807 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16 2026-02-10T11:42:07,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:42:07,811 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21 2026-02-10T11:42:07,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:42:07,815 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1 2026-02-10T11:42:07,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:42:07,818 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18 2026-02-10T11:42:07,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:42:07,822 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12 2026-02-10T11:42:07,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:42:07,826 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29 2026-02-10T11:42:07,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:42:07,830 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2 2026-02-10T11:42:07,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:42:07,833 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17 2026-02-10T11:42:07,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:42:07,836 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25 2026-02-10T11:42:07,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:42:07,840 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27 2026-02-10T11:42:07,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:42:07,843 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3 2026-02-10T11:42:07,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:42:07,847 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24 2026-02-10T11:42:07,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:42:07,850 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10 2026-02-10T11:42:07,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:42:07,854 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13 2026-02-10T11:42:07,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:42:07,857 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20 2026-02-10T11:42:07,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:42:07,861 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30 2026-02-10T11:42:07,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:42:07,866 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33 2026-02-10T11:42:07,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:42:07,870 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4 2026-02-10T11:42:07,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:42:07,874 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8 2026-02-10T11:42:07,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:42:07,878 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15 2026-02-10T11:42:07,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:42:07,882 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3 2026-02-10T11:42:07,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:42:07,885 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23 2026-02-10T11:42:07,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:42:07,888 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24 2026-02-10T11:42:07,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:42:07,892 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11 2026-02-10T11:42:07,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:42:07,895 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12 2026-02-10T11:42:07,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:42:07,899 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23 2026-02-10T11:42:07,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:42:07,903 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4 2026-02-10T11:42:07,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:42:07,907 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15 2026-02-10T11:42:07,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:42:07,910 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28 2026-02-10T11:42:07,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:42:07,914 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33 2026-02-10T11:42:07,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:42:07,917 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5 2026-02-10T11:42:07,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:42:07,921 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11 2026-02-10T11:42:07,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:42:07,925 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14 2026-02-10T11:42:07,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:42:07,929 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20 2026-02-10T11:42:07,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:42:07,933 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16 2026-02-10T11:42:07,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:42:07,936 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28 2026-02-10T11:42:07,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:42:07,940 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17 2026-02-10T11:42:07,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:42:07,945 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25 2026-02-10T11:42:07,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:42:07,949 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30 2026-02-10T11:42:07,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:42:07,953 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7 2026-02-10T11:42:07,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:42:07,958 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8 2026-02-10T11:42:07,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:42:07,962 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13 2026-02-10T11:42:07,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:42:07,966 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6 2026-02-10T11:42:07,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:42:07,970 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10 2026-02-10T11:42:07,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18 2026-02-10T11:42:07,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:07,975 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:07,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:07,979 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:07,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:07,982 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:07,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:07,986 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:07,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:07,989 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:07,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:07,992 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:07,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:07,995 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:07,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:07,999 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:08,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:08,002 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:08,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:08,007 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:08,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:08,011 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:08,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:08,015 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:08,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:08,020 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:08,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:08,024 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:08,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:08,029 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:08,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:08,033 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:08,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:08,037 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:08,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:08,041 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:08,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:08,044 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:08,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:08,048 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:08,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:08,052 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:08,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:08,057 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:08,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:08,061 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:08,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:08,066 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:08,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:08,069 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:08,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:08,073 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:08,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:08,077 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:08,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:08,082 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:08,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10 2026-02-10T11:42:08,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:08,088 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:08,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:08,091 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:08,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:08,095 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:08,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:08,099 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:08,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:08,103 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:08,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:08,106 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:08,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:08,111 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:08,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:08,114 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:08,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:08,118 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:08,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:08,122 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:08,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:08,126 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:08,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:08,129 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:08,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:08,134 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:08,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:08,138 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:08,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:08,142 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:08,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:08,146 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:08,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:08,150 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:08,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:08,154 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:08,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:08,157 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:08,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:08,161 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:08,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36 2026-02-10T11:42:08,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:42:08,169 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4 2026-02-10T11:42:08,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:42:08,173 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15 2026-02-10T11:42:08,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:42:08,178 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1 2026-02-10T11:42:08,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:08,182 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:08,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:42:08,186 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7 2026-02-10T11:42:08,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:42:08,189 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8 2026-02-10T11:42:08,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:42:08,192 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1 2026-02-10T11:42:08,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:42:08,196 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12 2026-02-10T11:42:08,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:42:08,199 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13 2026-02-10T11:42:08,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:42:08,203 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16 2026-02-10T11:42:08,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:42:08,207 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2 2026-02-10T11:42:08,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:42:08,212 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9 2026-02-10T11:42:08,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:42:08,216 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4 2026-02-10T11:42:08,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:42:08,221 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13 2026-02-10T11:42:08,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:42:08,225 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5 2026-02-10T11:42:08,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:42:08,228 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11 2026-02-10T11:42:08,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:42:08,232 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6 2026-02-10T11:42:08,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:42:08,235 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14 2026-02-10T11:42:08,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:42:08,240 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10 2026-02-10T11:42:08,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:42:08,245 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2 2026-02-10T11:42:08,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:42:08,249 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3 2026-02-10T11:42:08,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:42:08,253 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7 2026-02-10T11:42:08,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:42:08,257 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10 2026-02-10T11:42:08,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:42:08,262 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4 2026-02-10T11:42:08,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:42:08,266 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6 2026-02-10T11:42:08,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:42:08,270 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1 2026-02-10T11:42:08,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:42:08,280 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14 2026-02-10T11:42:08,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:42:08,284 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15 2026-02-10T11:42:08,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:42:08,289 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5 2026-02-10T11:42:08,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:42:08,293 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2 2026-02-10T11:42:08,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:42:08,298 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8 2026-02-10T11:42:08,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:42:08,303 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3 2026-02-10T11:42:08,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:42:08,307 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12 2026-02-10T11:42:08,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:42:08,311 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11 2026-02-10T11:42:08,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:42:08,316 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4 2026-02-10T11:42:08,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:42:08,320 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3 2026-02-10T11:42:08,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:42:08,324 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9 2026-02-10T11:42:08,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:42:08,329 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5 2026-02-10T11:42:08,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8 2026-02-10T11:42:08,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:42:08,336 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h 2026-02-10T11:42:08,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:08,339 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:08,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:42:08,343 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 2026-02-10T11:42:08,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:08,347 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:08,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:08,352 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:08,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:42:08,356 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8 2026-02-10T11:42:08,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:08,360 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:08,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:42:08,364 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2 2026-02-10T11:42:08,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:42:08,368 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+ 2026-02-10T11:42:08,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:08,372 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:08,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:42:08,376 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me 2026-02-10T11:42:08,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:42:08,380 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2 2026-02-10T11:42:08,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:42:08,385 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 2026-02-10T11:42:08,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:42:08,389 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8 2026-02-10T11:42:08,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:42:08,394 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+ 2026-02-10T11:42:08,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:08,398 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:08,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:08,403 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:08,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6 2026-02-10T11:42:08,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:08,408 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:08,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:08,411 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:08,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:08,414 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:08,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:08,419 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:08,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:08,423 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:08,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:08,428 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:08,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:08,432 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:08,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:08,436 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:08,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:08,440 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:08,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:08,444 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:08,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:08,448 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:08,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:08,452 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:08,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23 2026-02-10T11:42:08,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:42:08,458 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c 2026-02-10T11:42:08,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:42:08,462 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a 2026-02-10T11:42:08,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:42:08,465 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b 2026-02-10T11:42:08,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:42:08,470 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z 2026-02-10T11:42:08,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:42:08,476 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f 2026-02-10T11:42:08,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:42:08,480 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a 2026-02-10T11:42:08,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:42:08,485 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa 2026-02-10T11:42:08,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:42:08,489 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a 2026-02-10T11:42:08,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:42:08,494 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b 2026-02-10T11:42:08,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:42:08,499 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d 2026-02-10T11:42:08,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:42:08,503 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m 2026-02-10T11:42:08,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:42:08,506 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p 2026-02-10T11:42:08,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:42:08,511 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p 2026-02-10T11:42:08,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:42:08,516 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g 2026-02-10T11:42:08,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:42:08,521 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a 2026-02-10T11:42:08,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:42:08,525 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a 2026-02-10T11:42:08,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:42:08,530 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d 2026-02-10T11:42:08,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:42:08,535 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p 2026-02-10T11:42:08,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:42:08,539 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p 2026-02-10T11:42:08,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:42:08,542 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a 2026-02-10T11:42:08,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:42:08,547 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b 2026-02-10T11:42:08,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:42:08,551 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h 2026-02-10T11:42:08,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:42:08,556 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e 2026-02-10T11:42:08,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:42:08,560 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b 2026-02-10T11:42:08,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF 2026-02-10T11:42:08,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:08,567 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:08,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:08,571 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:08,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:08,575 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:08,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:08,579 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:08,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:08,583 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:08,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:08,586 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:08,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:08,590 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:08,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:08,594 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:08,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:08,599 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:08,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:08,603 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:08,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:08,608 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:08,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:08,612 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:08,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:08,617 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:08,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:08,620 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:08,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:08,624 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:08,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:08,627 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:08,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:08,631 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:08,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:08,634 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:08,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:08,638 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:08,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:08,642 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:08,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:08,646 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:08,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:08,650 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:08,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:08,653 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:08,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:08,658 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:08,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:08,662 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:08,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:08,666 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:08,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:08,670 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:08,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF 2026-02-10T11:42:08,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:42:08,675 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+ 2026-02-10T11:42:08,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:08,679 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:08,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:08,683 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:08,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:42:08,687 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G 2026-02-10T11:42:08,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:42:08,690 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T 2026-02-10T11:42:08,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:08,694 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:08,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:42:08,697 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+ 2026-02-10T11:42:08,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:42:08,700 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- 2026-02-10T11:42:08,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:08,704 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:08,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:42:08,707 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- 2026-02-10T11:42:08,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:08,711 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:08,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:42:08,714 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- 2026-02-10T11:42:08,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:08,718 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:08,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:08,722 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:08,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:08,725 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:08,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:08,729 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:08,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:08,733 copying build/lib/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:08,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:42:08,736 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- 2026-02-10T11:42:08,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16 2026-02-10T11:42:08,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,745 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,747 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,749 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,751 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,753 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,756 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,758 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,760 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,761 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,763 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,765 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,767 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,770 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,772 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,775 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,777 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,779 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,781 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,783 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,784 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,786 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,788 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,790 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,791 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,793 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,795 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,797 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,801 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,803 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,805 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,807 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,810 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,812 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,814 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY 2026-02-10T11:42:08,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES 2026-02-10T11:42:08,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43 2026-02-10T11:42:08,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30 2026-02-10T11:42:08,824 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 2026-02-10T11:42:08,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43 2026-02-10T11:42:08,828 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 2026-02-10T11:42:08,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2 2026-02-10T11:42:08,833 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 2026-02-10T11:42:08,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19 2026-02-10T11:42:08,837 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 2026-02-10T11:42:08,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33 2026-02-10T11:42:08,840 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 2026-02-10T11:42:08,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16 2026-02-10T11:42:08,845 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 2026-02-10T11:42:08,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4 2026-02-10T11:42:08,849 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 2026-02-10T11:42:08,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42 2026-02-10T11:42:08,853 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 2026-02-10T11:42:08,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4 2026-02-10T11:42:08,857 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 2026-02-10T11:42:08,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41 2026-02-10T11:42:08,862 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 2026-02-10T11:42:08,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22 2026-02-10T11:42:08,866 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 2026-02-10T11:42:08,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28 2026-02-10T11:42:08,871 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 2026-02-10T11:42:08,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36 2026-02-10T11:42:08,875 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 2026-02-10T11:42:08,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25 2026-02-10T11:42:08,878 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 2026-02-10T11:42:08,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12 2026-02-10T11:42:08,883 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 2026-02-10T11:42:08,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23 2026-02-10T11:42:08,887 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 2026-02-10T11:42:08,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH 2026-02-10T11:42:08,890 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 2026-02-10T11:42:08,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20 2026-02-10T11:42:08,894 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 2026-02-10T11:42:08,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24 2026-02-10T11:42:08,898 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 2026-02-10T11:42:08,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04 2026-02-10T11:42:08,901 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 2026-02-10T11:42:08,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40 2026-02-10T11:42:08,905 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 2026-02-10T11:42:08,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09 2026-02-10T11:42:08,908 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 2026-02-10T11:42:08,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2 2026-02-10T11:42:08,912 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 2026-02-10T11:42:08,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06 2026-02-10T11:42:08,916 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 2026-02-10T11:42:08,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2 2026-02-10T11:42:08,919 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 2026-02-10T11:42:08,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14 2026-02-10T11:42:08,922 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 2026-02-10T11:42:08,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3 2026-02-10T11:42:08,926 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 2026-02-10T11:42:08,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2 2026-02-10T11:42:08,929 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 2026-02-10T11:42:08,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03 2026-02-10T11:42:08,933 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 2026-02-10T11:42:08,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35 2026-02-10T11:42:08,936 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 2026-02-10T11:42:08,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32 2026-02-10T11:42:08,940 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 2026-02-10T11:42:08,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2 2026-02-10T11:42:08,943 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 2026-02-10T11:42:08,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21 2026-02-10T11:42:08,947 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 2026-02-10T11:42:08,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2 2026-02-10T11:42:08,950 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 2026-02-10T11:42:08,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01 2026-02-10T11:42:08,954 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 2026-02-10T11:42:08,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08 2026-02-10T11:42:08,958 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 2026-02-10T11:42:08,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37 2026-02-10T11:42:08,961 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 2026-02-10T11:42:08,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11 2026-02-10T11:42:08,964 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 2026-02-10T11:42:08,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2 2026-02-10T11:42:08,968 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 2026-02-10T11:42:08,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38 2026-02-10T11:42:08,971 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 2026-02-10T11:42:08,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07 2026-02-10T11:42:08,975 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 2026-02-10T11:42:08,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29 2026-02-10T11:42:08,979 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 2026-02-10T11:42:08,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18 2026-02-10T11:42:08,982 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 2026-02-10T11:42:08,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17 2026-02-10T11:42:08,985 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 2026-02-10T11:42:08,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26 2026-02-10T11:42:08,990 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 2026-02-10T11:42:08,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10 2026-02-10T11:42:08,995 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 2026-02-10T11:42:08,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39 2026-02-10T11:42:09,000 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 2026-02-10T11:42:09,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2 2026-02-10T11:42:09,005 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 2026-02-10T11:42:09,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05 2026-02-10T11:42:09,009 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 2026-02-10T11:42:09,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02 2026-02-10T11:42:09,013 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 2026-02-10T11:42:09,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH 2026-02-10T11:42:09,018 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 2026-02-10T11:42:09,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13 2026-02-10T11:42:09,023 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 2026-02-10T11:42:09,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3 2026-02-10T11:42:09,028 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 2026-02-10T11:42:09,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34 2026-02-10T11:42:09,033 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 2026-02-10T11:42:09,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15 2026-02-10T11:42:09,038 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 2026-02-10T11:42:09,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27 2026-02-10T11:42:09,043 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 2026-02-10T11:42:09,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2 2026-02-10T11:42:09,049 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 2026-02-10T11:42:09,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31 2026-02-10T11:42:09,053 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 2026-02-10T11:42:09,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6 2026-02-10T11:42:09,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:09,060 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 2026-02-10T11:42:09,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:09,065 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 2026-02-10T11:42:09,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:09,070 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 2026-02-10T11:42:09,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:09,074 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 2026-02-10T11:42:09,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:09,080 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 2026-02-10T11:42:09,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:09,085 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 2026-02-10T11:42:09,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:09,090 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 2026-02-10T11:42:09,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:09,094 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 2026-02-10T11:42:09,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:09,099 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 2026-02-10T11:42:09,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:09,102 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 2026-02-10T11:42:09,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:09,106 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 2026-02-10T11:42:09,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05 2026-02-10T11:42:09,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17 2026-02-10T11:42:09,114 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 2026-02-10T11:42:09,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8 2026-02-10T11:42:09,119 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 2026-02-10T11:42:09,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74 2026-02-10T11:42:09,123 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 2026-02-10T11:42:09,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43 2026-02-10T11:42:09,126 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 2026-02-10T11:42:09,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c 2026-02-10T11:42:09,130 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 2026-02-10T11:42:09,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn 2026-02-10T11:42:09,134 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 2026-02-10T11:42:09,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:42:09,139 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 2026-02-10T11:42:09,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:42:09,143 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 2026-02-10T11:42:09,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25 2026-02-10T11:42:09,148 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 2026-02-10T11:42:09,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he 2026-02-10T11:42:09,153 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 2026-02-10T11:42:09,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr 2026-02-10T11:42:09,156 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 2026-02-10T11:42:09,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64 2026-02-10T11:42:09,161 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 2026-02-10T11:42:09,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3 2026-02-10T11:42:09,164 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 2026-02-10T11:42:09,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:42:09,168 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 2026-02-10T11:42:09,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp 2026-02-10T11:42:09,172 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 2026-02-10T11:42:09,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68 2026-02-10T11:42:09,175 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 2026-02-10T11:42:09,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic 2026-02-10T11:42:09,179 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 2026-02-10T11:42:09,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:42:09,183 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 2026-02-10T11:42:09,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:42:09,186 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 2026-02-10T11:42:09,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f 2026-02-10T11:42:09,190 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 2026-02-10T11:42:09,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B 2026-02-10T11:42:09,195 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 2026-02-10T11:42:09,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl 2026-02-10T11:42:09,200 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 2026-02-10T11:42:09,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH 2026-02-10T11:42:09,204 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 2026-02-10T11:42:09,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76 2026-02-10T11:42:09,208 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 2026-02-10T11:42:09,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o 2026-02-10T11:42:09,212 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 2026-02-10T11:42:09,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3 2026-02-10T11:42:09,216 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 2026-02-10T11:42:09,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4 2026-02-10T11:42:09,220 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 2026-02-10T11:42:09,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts 2026-02-10T11:42:09,225 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 2026-02-10T11:42:09,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45 2026-02-10T11:42:09,229 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 2026-02-10T11:42:09,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc 2026-02-10T11:42:09,234 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 2026-02-10T11:42:09,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:42:09,238 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 2026-02-10T11:42:09,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B 2026-02-10T11:42:09,243 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 2026-02-10T11:42:09,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B 2026-02-10T11:42:09,247 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 2026-02-10T11:42:09,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2 2026-02-10T11:42:09,251 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 2026-02-10T11:42:09,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25 2026-02-10T11:42:09,256 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 2026-02-10T11:42:09,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48 2026-02-10T11:42:09,260 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 2026-02-10T11:42:09,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:42:09,265 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 2026-02-10T11:42:09,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2 2026-02-10T11:42:09,269 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 2026-02-10T11:42:09,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A 2026-02-10T11:42:09,273 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 2026-02-10T11:42:09,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:42:09,278 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+ 2026-02-10T11:42:09,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20 2026-02-10T11:42:09,282 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 2026-02-10T11:42:09,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf 2026-02-10T11:42:09,287 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 2026-02-10T11:42:09,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:42:09,291 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 2026-02-10T11:42:09,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al 2026-02-10T11:42:09,296 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 2026-02-10T11:42:09,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A 2026-02-10T11:42:09,300 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 2026-02-10T11:42:09,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:09,305 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:09,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s 2026-02-10T11:42:09,309 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 2026-02-10T11:42:09,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:42:09,314 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 2026-02-10T11:42:09,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4 2026-02-10T11:42:09,318 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 2026-02-10T11:42:09,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:42:09,322 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 2026-02-10T11:42:09,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A 2026-02-10T11:42:09,326 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 2026-02-10T11:42:09,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A 2026-02-10T11:42:09,329 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 2026-02-10T11:42:09,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2 2026-02-10T11:42:09,333 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 2026-02-10T11:42:09,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:42:09,336 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 2026-02-10T11:42:09,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24 2026-02-10T11:42:09,340 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 2026-02-10T11:42:09,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:42:09,343 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 2026-02-10T11:42:09,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:42:09,347 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 2026-02-10T11:42:09,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10 2026-02-10T11:42:09,350 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 2026-02-10T11:42:09,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4 2026-02-10T11:42:09,355 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 2026-02-10T11:42:09,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:42:09,359 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+ 2026-02-10T11:42:09,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A 2026-02-10T11:42:09,364 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 2026-02-10T11:42:09,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1 2026-02-10T11:42:09,368 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 2026-02-10T11:42:09,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh 2026-02-10T11:42:09,373 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 2026-02-10T11:42:09,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3 2026-02-10T11:42:09,376 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 2026-02-10T11:42:09,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40 2026-02-10T11:42:09,380 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 2026-02-10T11:42:09,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1 2026-02-10T11:42:09,383 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 2026-02-10T11:42:09,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg 2026-02-10T11:42:09,387 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 2026-02-10T11:42:09,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80 2026-02-10T11:42:09,390 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 2026-02-10T11:42:09,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:09,395 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 2026-02-10T11:42:09,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1 2026-02-10T11:42:09,400 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 2026-02-10T11:42:09,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02 2026-02-10T11:42:09,404 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 2026-02-10T11:42:09,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a 2026-02-10T11:42:09,408 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 2026-02-10T11:42:09,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:42:09,412 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 2026-02-10T11:42:09,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2 2026-02-10T11:42:09,416 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 2026-02-10T11:42:09,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:42:09,420 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 2026-02-10T11:42:09,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar 2026-02-10T11:42:09,425 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 2026-02-10T11:42:09,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:42:09,429 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 2026-02-10T11:42:09,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58 2026-02-10T11:42:09,433 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 2026-02-10T11:42:09,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47 2026-02-10T11:42:09,436 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 2026-02-10T11:42:09,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:42:09,440 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 2026-02-10T11:42:09,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:42:09,444 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 2026-02-10T11:42:09,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:42:09,448 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 2026-02-10T11:42:09,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S 2026-02-10T11:42:09,452 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 2026-02-10T11:42:09,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14 2026-02-10T11:42:09,456 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 2026-02-10T11:42:09,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20 2026-02-10T11:42:09,459 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 2026-02-10T11:42:09,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2 2026-02-10T11:42:09,463 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 2026-02-10T11:42:09,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:09,466 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+ 2026-02-10T11:42:09,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b 2026-02-10T11:42:09,470 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 2026-02-10T11:42:09,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco 2026-02-10T11:42:09,474 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 2026-02-10T11:42:09,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3 2026-02-10T11:42:09,477 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 2026-02-10T11:42:09,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71 2026-02-10T11:42:09,482 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 2026-02-10T11:42:09,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2 2026-02-10T11:42:09,486 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 2026-02-10T11:42:09,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:42:09,490 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 2026-02-10T11:42:09,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B 2026-02-10T11:42:09,494 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 2026-02-10T11:42:09,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe 2026-02-10T11:42:09,498 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 2026-02-10T11:42:09,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf 2026-02-10T11:42:09,501 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 2026-02-10T11:42:09,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:42:09,504 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 2026-02-10T11:42:09,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2 2026-02-10T11:42:09,508 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 2026-02-10T11:42:09,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+ 2026-02-10T11:42:09,511 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+ 2026-02-10T11:42:09,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:42:09,514 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 2026-02-10T11:42:09,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:42:09,518 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 2026-02-10T11:42:09,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:09,522 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 2026-02-10T11:42:09,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21 2026-02-10T11:42:09,525 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 2026-02-10T11:42:09,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf 2026-02-10T11:42:09,529 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 2026-02-10T11:42:09,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne 2026-02-10T11:42:09,532 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 2026-02-10T11:42:09,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12 2026-02-10T11:42:09,536 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 2026-02-10T11:42:09,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr 2026-02-10T11:42:09,540 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 2026-02-10T11:42:09,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+ 2026-02-10T11:42:09,543 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+ 2026-02-10T11:42:09,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts 2026-02-10T11:42:09,546 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 2026-02-10T11:42:09,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:42:09,550 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 2026-02-10T11:42:09,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs 2026-02-10T11:42:09,553 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 2026-02-10T11:42:09,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5 2026-02-10T11:42:09,557 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 2026-02-10T11:42:09,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2 2026-02-10T11:42:09,560 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 2026-02-10T11:42:09,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O 2026-02-10T11:42:09,564 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 2026-02-10T11:42:09,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p 2026-02-10T11:42:09,579 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 2026-02-10T11:42:09,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1 2026-02-10T11:42:09,582 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 2026-02-10T11:42:09,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4 2026-02-10T11:42:09,586 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 2026-02-10T11:42:09,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s 2026-02-10T11:42:09,590 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 2026-02-10T11:42:09,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2 2026-02-10T11:42:09,594 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 2026-02-10T11:42:09,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B 2026-02-10T11:42:09,597 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 2026-02-10T11:42:09,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl 2026-02-10T11:42:09,601 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 2026-02-10T11:42:09,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm 2026-02-10T11:42:09,605 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 2026-02-10T11:42:09,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:42:09,609 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 2026-02-10T11:42:09,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k 2026-02-10T11:42:09,612 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 2026-02-10T11:42:09,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl 2026-02-10T11:42:09,616 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 2026-02-10T11:42:09,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo 2026-02-10T11:42:09,619 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 2026-02-10T11:42:09,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18 2026-02-10T11:42:09,623 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 2026-02-10T11:42:09,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A 2026-02-10T11:42:09,626 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 2026-02-10T11:42:09,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f 2026-02-10T11:42:09,630 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 2026-02-10T11:42:09,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh 2026-02-10T11:42:09,634 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 2026-02-10T11:42:09,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6 2026-02-10T11:42:09,639 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 2026-02-10T11:42:09,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2 2026-02-10T11:42:09,643 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 2026-02-10T11:42:09,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p 2026-02-10T11:42:09,648 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 2026-02-10T11:42:09,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn 2026-02-10T11:42:09,652 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 2026-02-10T11:42:09,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2 2026-02-10T11:42:09,656 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 2026-02-10T11:42:09,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots 2026-02-10T11:42:09,661 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 2026-02-10T11:42:09,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4 2026-02-10T11:42:09,665 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 2026-02-10T11:42:09,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A 2026-02-10T11:42:09,669 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 2026-02-10T11:42:09,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2 2026-02-10T11:42:09,673 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 2026-02-10T11:42:09,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B 2026-02-10T11:42:09,677 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 2026-02-10T11:42:09,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B 2026-02-10T11:42:09,682 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 2026-02-10T11:42:09,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20 2026-02-10T11:42:09,685 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 2026-02-10T11:42:09,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39 2026-02-10T11:42:09,689 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 2026-02-10T11:42:09,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59 2026-02-10T11:42:09,693 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 2026-02-10T11:42:09,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b 2026-02-10T11:42:09,697 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 2026-02-10T11:42:09,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo 2026-02-10T11:42:09,700 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 2026-02-10T11:42:09,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67 2026-02-10T11:42:09,704 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 2026-02-10T11:42:09,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh 2026-02-10T11:42:09,708 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 2026-02-10T11:42:09,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78 2026-02-10T11:42:09,712 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 2026-02-10T11:42:09,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH 2026-02-10T11:42:09,716 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 2026-02-10T11:42:09,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s 2026-02-10T11:42:09,720 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 2026-02-10T11:42:09,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13 2026-02-10T11:42:09,724 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 2026-02-10T11:42:09,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+ 2026-02-10T11:42:09,727 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+ 2026-02-10T11:42:09,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34 2026-02-10T11:42:09,732 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 2026-02-10T11:42:09,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2 2026-02-10T11:42:09,736 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 2026-02-10T11:42:09,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca 2026-02-10T11:42:09,741 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 2026-02-10T11:42:09,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr 2026-02-10T11:42:09,746 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 2026-02-10T11:42:09,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s 2026-02-10T11:42:09,750 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 2026-02-10T11:42:09,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:42:09,755 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- 2026-02-10T11:42:09,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be 2026-02-10T11:42:09,759 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 2026-02-10T11:42:09,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si 2026-02-10T11:42:09,763 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 2026-02-10T11:42:09,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2 2026-02-10T11:42:09,767 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 2026-02-10T11:42:09,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A 2026-02-10T11:42:09,770 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 2026-02-10T11:42:09,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao 2026-02-10T11:42:09,775 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 2026-02-10T11:42:09,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3 2026-02-10T11:42:09,779 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 2026-02-10T11:42:09,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:42:09,783 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 2026-02-10T11:42:09,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:42:09,787 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 2026-02-10T11:42:09,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73 2026-02-10T11:42:09,792 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 2026-02-10T11:42:09,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h 2026-02-10T11:42:09,797 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 2026-02-10T11:42:09,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+ 2026-02-10T11:42:09,802 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+ 2026-02-10T11:42:09,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC 2026-02-10T11:42:09,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104 2026-02-10T11:42:09,809 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 2026-02-10T11:42:09,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8 2026-02-10T11:42:09,813 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 2026-02-10T11:42:09,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30 2026-02-10T11:42:09,818 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 2026-02-10T11:42:09,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126 2026-02-10T11:42:09,823 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 2026-02-10T11:42:09,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33 2026-02-10T11:42:09,828 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 2026-02-10T11:42:09,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128 2026-02-10T11:42:09,834 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 2026-02-10T11:42:09,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68 2026-02-10T11:42:09,839 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 2026-02-10T11:42:09,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94 2026-02-10T11:42:09,843 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 2026-02-10T11:42:09,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45 2026-02-10T11:42:09,848 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 2026-02-10T11:42:09,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22 2026-02-10T11:42:09,854 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 2026-02-10T11:42:09,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25 2026-02-10T11:42:09,859 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 2026-02-10T11:42:09,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100 2026-02-10T11:42:09,864 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 2026-02-10T11:42:09,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23 2026-02-10T11:42:09,869 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 2026-02-10T11:42:09,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52 2026-02-10T11:42:09,875 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 2026-02-10T11:42:09,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118 2026-02-10T11:42:09,880 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 2026-02-10T11:42:09,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113 2026-02-10T11:42:09,885 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 2026-02-10T11:42:09,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24 2026-02-10T11:42:09,891 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 2026-02-10T11:42:09,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40 2026-02-10T11:42:09,895 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 2026-02-10T11:42:09,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57 2026-02-10T11:42:09,900 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 2026-02-10T11:42:09,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106 2026-02-10T11:42:09,903 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 2026-02-10T11:42:09,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88 2026-02-10T11:42:09,907 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 2026-02-10T11:42:09,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58 2026-02-10T11:42:09,911 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 2026-02-10T11:42:09,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47 2026-02-10T11:42:09,915 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 2026-02-10T11:42:09,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14 2026-02-10T11:42:09,919 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 2026-02-10T11:42:09,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66 2026-02-10T11:42:09,922 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 2026-02-10T11:42:09,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51 2026-02-10T11:42:09,925 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 2026-02-10T11:42:09,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32 2026-02-10T11:42:09,929 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 2026-02-10T11:42:09,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117 2026-02-10T11:42:09,932 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 2026-02-10T11:42:09,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56 2026-02-10T11:42:09,935 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 2026-02-10T11:42:09,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21 2026-02-10T11:42:09,939 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 2026-02-10T11:42:09,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61 2026-02-10T11:42:09,943 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 2026-02-10T11:42:09,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67 2026-02-10T11:42:09,947 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 2026-02-10T11:42:09,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11 2026-02-10T11:42:09,951 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 2026-02-10T11:42:09,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82 2026-02-10T11:42:09,955 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 2026-02-10T11:42:09,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1 2026-02-10T11:42:09,959 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 2026-02-10T11:42:09,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97 2026-02-10T11:42:09,963 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 2026-02-10T11:42:09,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60 2026-02-10T11:42:09,968 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 2026-02-10T11:42:09,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121 2026-02-10T11:42:09,972 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 2026-02-10T11:42:09,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18 2026-02-10T11:42:09,977 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 2026-02-10T11:42:09,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6 2026-02-10T11:42:09,981 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 2026-02-10T11:42:09,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62 2026-02-10T11:42:09,986 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 2026-02-10T11:42:09,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26 2026-02-10T11:42:09,990 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 2026-02-10T11:42:09,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39 2026-02-10T11:42:09,994 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 2026-02-10T11:42:09,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59 2026-02-10T11:42:09,998 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 2026-02-10T11:42:10,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13 2026-02-10T11:42:10,002 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 2026-02-10T11:42:10,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34 2026-02-10T11:42:10,006 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 2026-02-10T11:42:10,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73 2026-02-10T11:42:10,010 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 2026-02-10T11:42:10,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11 2026-02-10T11:42:10,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:42:10,017 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 2026-02-10T11:42:10,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br 2026-02-10T11:42:10,021 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 2026-02-10T11:42:10,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:42:10,025 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 2026-02-10T11:42:10,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:42:10,029 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 2026-02-10T11:42:10,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:42:10,034 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 2026-02-10T11:42:10,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:42:10,038 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 2026-02-10T11:42:10,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:42:10,043 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 2026-02-10T11:42:10,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:42:10,047 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 2026-02-10T11:42:10,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:42:10,050 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 2026-02-10T11:42:10,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:42:10,054 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 2026-02-10T11:42:10,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:42:10,058 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 2026-02-10T11:42:10,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:42:10,062 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 2026-02-10T11:42:10,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:42:10,066 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 2026-02-10T11:42:10,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:42:10,069 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 2026-02-10T11:42:10,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:42:10,073 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 2026-02-10T11:42:10,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:42:10,077 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 2026-02-10T11:42:10,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:42:10,081 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 2026-02-10T11:42:10,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:42:10,084 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 2026-02-10T11:42:10,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:42:10,088 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 2026-02-10T11:42:10,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:42:10,091 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 2026-02-10T11:42:10,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:42:10,095 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 2026-02-10T11:42:10,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:42:10,099 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 2026-02-10T11:42:10,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27 2026-02-10T11:42:10,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op 2026-02-10T11:42:10,105 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 2026-02-10T11:42:10,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:42:10,109 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 2026-02-10T11:42:10,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:42:10,113 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 2026-02-10T11:42:10,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:42:10,118 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 2026-02-10T11:42:10,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:42:10,121 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 2026-02-10T11:42:10,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:42:10,125 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 2026-02-10T11:42:10,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:42:10,128 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 2026-02-10T11:42:10,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3 2026-02-10T11:42:10,132 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 2026-02-10T11:42:10,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:42:10,136 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 2026-02-10T11:42:10,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6 2026-02-10T11:42:10,140 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 2026-02-10T11:42:10,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:42:10,143 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 2026-02-10T11:42:10,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b 2026-02-10T11:42:10,147 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 2026-02-10T11:42:10,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20 2026-02-10T11:42:10,151 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 2026-02-10T11:42:10,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:42:10,156 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 2026-02-10T11:42:10,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:42:10,160 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 2026-02-10T11:42:10,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:42:10,164 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 2026-02-10T11:42:10,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c 2026-02-10T11:42:10,168 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 2026-02-10T11:42:10,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:42:10,172 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 2026-02-10T11:42:10,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:42:10,176 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 2026-02-10T11:42:10,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es 2026-02-10T11:42:10,180 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 2026-02-10T11:42:10,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:42:10,184 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 2026-02-10T11:42:10,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O 2026-02-10T11:42:10,188 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 2026-02-10T11:42:10,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm 2026-02-10T11:42:10,192 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 2026-02-10T11:42:10,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:42:10,196 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 2026-02-10T11:42:10,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4 2026-02-10T11:42:10,201 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 2026-02-10T11:42:10,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2 2026-02-10T11:42:10,205 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 2026-02-10T11:42:10,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:42:10,209 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 2026-02-10T11:42:10,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:42:10,213 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 2026-02-10T11:42:10,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5 2026-02-10T11:42:10,217 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 2026-02-10T11:42:10,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:42:10,220 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 2026-02-10T11:42:10,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59 2026-02-10T11:42:10,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:10,227 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 2026-02-10T11:42:10,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:42:10,231 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 2026-02-10T11:42:10,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:10,235 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 2026-02-10T11:42:10,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:42:10,239 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 2026-02-10T11:42:10,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:42:10,243 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 2026-02-10T11:42:10,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:42:10,246 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 2026-02-10T11:42:10,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:42:10,250 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 2026-02-10T11:42:10,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:10,254 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 2026-02-10T11:42:10,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:10,258 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 2026-02-10T11:42:10,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI 2026-02-10T11:42:10,261 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 2026-02-10T11:42:10,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:42:10,265 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 2026-02-10T11:42:10,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:10,268 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 2026-02-10T11:42:10,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:42:10,272 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 2026-02-10T11:42:10,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH 2026-02-10T11:42:10,276 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 2026-02-10T11:42:10,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:42:10,279 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 2026-02-10T11:42:10,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:42:10,283 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 2026-02-10T11:42:10,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:10,287 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 2026-02-10T11:42:10,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:42:10,290 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 2026-02-10T11:42:10,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:10,294 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 2026-02-10T11:42:10,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:10,298 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 2026-02-10T11:42:10,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:42:10,302 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 2026-02-10T11:42:10,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:42:10,306 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 2026-02-10T11:42:10,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:10,310 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 2026-02-10T11:42:10,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:10,313 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 2026-02-10T11:42:10,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:10,317 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 2026-02-10T11:42:10,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr 2026-02-10T11:42:10,321 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 2026-02-10T11:42:10,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:10,324 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 2026-02-10T11:42:10,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:10,328 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 2026-02-10T11:42:10,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:42:10,333 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 2026-02-10T11:42:10,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:10,337 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 2026-02-10T11:42:10,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:10,341 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 2026-02-10T11:42:10,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:10,345 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 2026-02-10T11:42:10,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:42:10,349 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 2026-02-10T11:42:10,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:10,352 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 2026-02-10T11:42:10,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:10,356 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 2026-02-10T11:42:10,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:10,360 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 2026-02-10T11:42:10,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:10,363 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 2026-02-10T11:42:10,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:42:10,368 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 2026-02-10T11:42:10,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:42:10,372 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 2026-02-10T11:42:10,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:42:10,376 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 2026-02-10T11:42:10,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:10,380 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 2026-02-10T11:42:10,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI 2026-02-10T11:42:10,383 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 2026-02-10T11:42:10,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:10,387 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 2026-02-10T11:42:10,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:10,391 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 2026-02-10T11:42:10,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr 2026-02-10T11:42:10,395 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 2026-02-10T11:42:10,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:42:10,398 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 2026-02-10T11:42:10,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI 2026-02-10T11:42:10,402 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 2026-02-10T11:42:10,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:10,405 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 2026-02-10T11:42:10,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:10,409 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 2026-02-10T11:42:10,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:10,412 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 2026-02-10T11:42:10,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:42:10,415 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 2026-02-10T11:42:10,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:10,419 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 2026-02-10T11:42:10,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:10,423 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 2026-02-10T11:42:10,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:10,426 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 2026-02-10T11:42:10,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:10,430 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 2026-02-10T11:42:10,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:42:10,434 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 2026-02-10T11:42:10,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS 2026-02-10T11:42:10,438 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 2026-02-10T11:42:10,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:10,442 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 2026-02-10T11:42:10,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:42:10,445 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 2026-02-10T11:42:10,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:10,449 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 2026-02-10T11:42:10,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl 2026-02-10T11:42:10,452 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 2026-02-10T11:42:10,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:42:10,457 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 2026-02-10T11:42:10,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:42:10,462 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 2026-02-10T11:42:10,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:10,466 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 2026-02-10T11:42:10,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:42:10,469 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 2026-02-10T11:42:10,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:42:10,473 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 2026-02-10T11:42:10,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:42:10,477 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 2026-02-10T11:42:10,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:42:10,482 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 2026-02-10T11:42:10,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:10,485 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 2026-02-10T11:42:10,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:42:10,491 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 2026-02-10T11:42:10,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:42:10,494 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 2026-02-10T11:42:10,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:10,498 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 2026-02-10T11:42:10,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:10,502 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 2026-02-10T11:42:10,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:42:10,506 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 2026-02-10T11:42:10,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:10,510 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 2026-02-10T11:42:10,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:42:10,514 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 2026-02-10T11:42:10,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:42:10,518 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 2026-02-10T11:42:10,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:42:10,521 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 2026-02-10T11:42:10,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:42:10,525 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 2026-02-10T11:42:10,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:10,529 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 2026-02-10T11:42:10,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:42:10,533 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 2026-02-10T11:42:10,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:10,537 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 2026-02-10T11:42:10,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:10,541 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 2026-02-10T11:42:10,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:42:10,545 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 2026-02-10T11:42:10,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:42:10,549 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 2026-02-10T11:42:10,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:10,552 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 2026-02-10T11:42:10,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:10,556 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 2026-02-10T11:42:10,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:10,559 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 2026-02-10T11:42:10,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:10,563 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 2026-02-10T11:42:10,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3 2026-02-10T11:42:10,566 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 2026-02-10T11:42:10,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:42:10,571 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 2026-02-10T11:42:10,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:42:10,575 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 2026-02-10T11:42:10,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH 2026-02-10T11:42:10,580 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 2026-02-10T11:42:10,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:42:10,584 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 2026-02-10T11:42:10,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS 2026-02-10T11:42:10,588 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 2026-02-10T11:42:10,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:10,591 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 2026-02-10T11:42:10,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:10,594 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 2026-02-10T11:42:10,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:10,598 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 2026-02-10T11:42:10,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe 2026-02-10T11:42:10,602 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 2026-02-10T11:42:10,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:42:10,605 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 2026-02-10T11:42:10,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:10,609 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 2026-02-10T11:42:10,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:10,613 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 2026-02-10T11:42:10,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:10,616 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 2026-02-10T11:42:10,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:10,620 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 2026-02-10T11:42:10,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:10,624 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 2026-02-10T11:42:10,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12 2026-02-10T11:42:10,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:42:10,632 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 2026-02-10T11:42:10,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O 2026-02-10T11:42:10,635 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 2026-02-10T11:42:10,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:42:10,640 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 2026-02-10T11:42:10,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:10,645 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 2026-02-10T11:42:10,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:42:10,649 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 2026-02-10T11:42:10,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:42:10,654 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 2026-02-10T11:42:10,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:42:10,658 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 2026-02-10T11:42:10,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:42:10,663 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 2026-02-10T11:42:10,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O 2026-02-10T11:42:10,666 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 2026-02-10T11:42:10,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:42:10,671 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 2026-02-10T11:42:10,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:42:10,675 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 2026-02-10T11:42:10,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:42:10,679 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 2026-02-10T11:42:10,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:42:10,684 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 2026-02-10T11:42:10,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:42:10,689 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 2026-02-10T11:42:10,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:42:10,693 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 2026-02-10T11:42:10,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:42:10,699 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 2026-02-10T11:42:10,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O 2026-02-10T11:42:10,703 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 2026-02-10T11:42:10,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N 2026-02-10T11:42:10,707 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 2026-02-10T11:42:10,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL 2026-02-10T11:42:10,711 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 2026-02-10T11:42:10,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:42:10,715 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 2026-02-10T11:42:10,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:42:10,719 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 2026-02-10T11:42:10,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:42:10,723 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 2026-02-10T11:42:10,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL 2026-02-10T11:42:10,727 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 2026-02-10T11:42:10,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N 2026-02-10T11:42:10,731 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 2026-02-10T11:42:10,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:42:10,735 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 2026-02-10T11:42:10,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:42:10,739 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 2026-02-10T11:42:10,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:42:10,743 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 2026-02-10T11:42:10,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL 2026-02-10T11:42:10,747 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 2026-02-10T11:42:10,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:42:10,751 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 2026-02-10T11:42:10,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N 2026-02-10T11:42:10,755 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 2026-02-10T11:42:10,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:42:10,759 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 2026-02-10T11:42:10,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:42:10,763 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 2026-02-10T11:42:10,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL 2026-02-10T11:42:10,767 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 2026-02-10T11:42:10,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N 2026-02-10T11:42:10,772 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 2026-02-10T11:42:10,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O 2026-02-10T11:42:10,776 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 2026-02-10T11:42:10,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:42:10,779 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 2026-02-10T11:42:10,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16 2026-02-10T11:42:10,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A 2026-02-10T11:42:10,785 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 2026-02-10T11:42:10,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229 2026-02-10T11:42:10,789 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 2026-02-10T11:42:10,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B 2026-02-10T11:42:10,793 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 2026-02-10T11:42:10,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A 2026-02-10T11:42:10,797 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 2026-02-10T11:42:10,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B 2026-02-10T11:42:10,801 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 2026-02-10T11:42:10,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B 2026-02-10T11:42:10,804 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 2026-02-10T11:42:10,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B 2026-02-10T11:42:10,809 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 2026-02-10T11:42:10,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202 2026-02-10T11:42:10,812 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 2026-02-10T11:42:10,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148 2026-02-10T11:42:10,816 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 2026-02-10T11:42:10,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A 2026-02-10T11:42:10,820 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 2026-02-10T11:42:10,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008 2026-02-10T11:42:10,823 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 2026-02-10T11:42:10,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147 2026-02-10T11:42:10,827 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 2026-02-10T11:42:10,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B 2026-02-10T11:42:10,830 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 2026-02-10T11:42:10,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227 2026-02-10T11:42:10,833 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 2026-02-10T11:42:10,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B 2026-02-10T11:42:10,837 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 2026-02-10T11:42:10,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A 2026-02-10T11:42:10,840 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 2026-02-10T11:42:10,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A 2026-02-10T11:42:10,845 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 2026-02-10T11:42:10,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B 2026-02-10T11:42:10,848 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 2026-02-10T11:42:10,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214 2026-02-10T11:42:10,852 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 2026-02-10T11:42:10,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A 2026-02-10T11:42:10,855 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 2026-02-10T11:42:10,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A 2026-02-10T11:42:10,859 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 2026-02-10T11:42:10,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B 2026-02-10T11:42:10,863 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 2026-02-10T11:42:10,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213 2026-02-10T11:42:10,867 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 2026-02-10T11:42:10,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B 2026-02-10T11:42:10,870 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 2026-02-10T11:42:10,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152 2026-02-10T11:42:10,875 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 2026-02-10T11:42:10,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B 2026-02-10T11:42:10,879 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 2026-02-10T11:42:10,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A 2026-02-10T11:42:10,884 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 2026-02-10T11:42:10,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150 2026-02-10T11:42:10,888 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 2026-02-10T11:42:10,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B 2026-02-10T11:42:10,893 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 2026-02-10T11:42:10,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A 2026-02-10T11:42:10,897 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 2026-02-10T11:42:10,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230 2026-02-10T11:42:10,903 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 2026-02-10T11:42:10,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231 2026-02-10T11:42:10,907 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 2026-02-10T11:42:10,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A 2026-02-10T11:42:10,912 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 2026-02-10T11:42:10,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187 2026-02-10T11:42:10,917 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 2026-02-10T11:42:10,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A 2026-02-10T11:42:10,922 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 2026-02-10T11:42:10,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212 2026-02-10T11:42:10,927 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 2026-02-10T11:42:10,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B 2026-02-10T11:42:10,932 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 2026-02-10T11:42:10,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B 2026-02-10T11:42:10,936 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 2026-02-10T11:42:10,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B 2026-02-10T11:42:10,939 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 2026-02-10T11:42:10,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A 2026-02-10T11:42:10,943 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 2026-02-10T11:42:10,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B 2026-02-10T11:42:10,947 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 2026-02-10T11:42:10,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A 2026-02-10T11:42:10,951 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 2026-02-10T11:42:10,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228 2026-02-10T11:42:10,956 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 2026-02-10T11:42:10,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A 2026-02-10T11:42:10,960 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 2026-02-10T11:42:10,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A 2026-02-10T11:42:10,964 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 2026-02-10T11:42:10,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144 2026-02-10T11:42:10,969 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 2026-02-10T11:42:10,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B 2026-02-10T11:42:10,974 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 2026-02-10T11:42:10,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A 2026-02-10T11:42:10,978 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 2026-02-10T11:42:10,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18 2026-02-10T11:42:10,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2 2026-02-10T11:42:10,986 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 2026-02-10T11:42:10,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr 2026-02-10T11:42:10,990 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 2026-02-10T11:42:10,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3 2026-02-10T11:42:10,995 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 2026-02-10T11:42:10,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6 2026-02-10T11:42:10,999 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 2026-02-10T11:42:11,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf 2026-02-10T11:42:11,004 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 2026-02-10T11:42:11,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:42:11,008 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 2026-02-10T11:42:11,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2 2026-02-10T11:42:11,013 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 2026-02-10T11:42:11,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr 2026-02-10T11:42:11,017 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 2026-02-10T11:42:11,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:42:11,021 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 2026-02-10T11:42:11,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4 2026-02-10T11:42:11,026 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 2026-02-10T11:42:11,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3 2026-02-10T11:42:11,030 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 2026-02-10T11:42:11,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar 2026-02-10T11:42:11,034 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 2026-02-10T11:42:11,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz 2026-02-10T11:42:11,038 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 2026-02-10T11:42:11,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr 2026-02-10T11:42:11,042 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 2026-02-10T11:42:11,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6 2026-02-10T11:42:11,046 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 2026-02-10T11:42:11,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:42:11,050 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 2026-02-10T11:42:11,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe 2026-02-10T11:42:11,053 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 2026-02-10T11:42:11,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2 2026-02-10T11:42:11,057 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 2026-02-10T11:42:11,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3 2026-02-10T11:42:11,060 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 2026-02-10T11:42:11,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne 2026-02-10T11:42:11,064 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 2026-02-10T11:42:11,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr 2026-02-10T11:42:11,069 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 2026-02-10T11:42:11,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4 2026-02-10T11:42:11,074 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 2026-02-10T11:42:11,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe 2026-02-10T11:42:11,078 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 2026-02-10T11:42:11,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:42:11,082 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 2026-02-10T11:42:11,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2 2026-02-10T11:42:11,086 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 2026-02-10T11:42:11,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO 2026-02-10T11:42:11,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8 2026-02-10T11:42:11,092 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 2026-02-10T11:42:11,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9 2026-02-10T11:42:11,096 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 2026-02-10T11:42:11,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4 2026-02-10T11:42:11,099 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 2026-02-10T11:42:11,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3 2026-02-10T11:42:11,104 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 2026-02-10T11:42:11,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2 2026-02-10T11:42:11,108 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 2026-02-10T11:42:11,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7 2026-02-10T11:42:11,112 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 2026-02-10T11:42:11,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5 2026-02-10T11:42:11,116 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 2026-02-10T11:42:11,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1 2026-02-10T11:42:11,120 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 2026-02-10T11:42:11,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6 2026-02-10T11:42:11,124 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 2026-02-10T11:42:11,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10 2026-02-10T11:42:11,127 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 2026-02-10T11:42:11,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66 2026-02-10T11:42:11,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A 2026-02-10T11:42:11,136 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 2026-02-10T11:42:11,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B 2026-02-10T11:42:11,141 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 2026-02-10T11:42:11,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B 2026-02-10T11:42:11,145 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 2026-02-10T11:42:11,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30 2026-02-10T11:42:11,149 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 2026-02-10T11:42:11,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43 2026-02-10T11:42:11,153 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 2026-02-10T11:42:11,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B 2026-02-10T11:42:11,157 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 2026-02-10T11:42:11,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A 2026-02-10T11:42:11,161 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 2026-02-10T11:42:11,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B 2026-02-10T11:42:11,165 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 2026-02-10T11:42:11,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A 2026-02-10T11:42:11,168 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 2026-02-10T11:42:11,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A 2026-02-10T11:42:11,172 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 2026-02-10T11:42:11,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B 2026-02-10T11:42:11,175 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 2026-02-10T11:42:11,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B 2026-02-10T11:42:11,179 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 2026-02-10T11:42:11,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19 2026-02-10T11:42:11,182 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 2026-02-10T11:42:11,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33 2026-02-10T11:42:11,186 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 2026-02-10T11:42:11,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B 2026-02-10T11:42:11,191 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 2026-02-10T11:42:11,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A 2026-02-10T11:42:11,195 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 2026-02-10T11:42:11,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A 2026-02-10T11:42:11,198 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 2026-02-10T11:42:11,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16 2026-02-10T11:42:11,201 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 2026-02-10T11:42:11,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B 2026-02-10T11:42:11,205 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 2026-02-10T11:42:11,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B 2026-02-10T11:42:11,209 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 2026-02-10T11:42:11,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B 2026-02-10T11:42:11,213 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 2026-02-10T11:42:11,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B 2026-02-10T11:42:11,217 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 2026-02-10T11:42:11,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42 2026-02-10T11:42:11,221 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 2026-02-10T11:42:11,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41 2026-02-10T11:42:11,224 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 2026-02-10T11:42:11,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A 2026-02-10T11:42:11,228 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 2026-02-10T11:42:11,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45 2026-02-10T11:42:11,232 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 2026-02-10T11:42:11,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22 2026-02-10T11:42:11,236 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 2026-02-10T11:42:11,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28 2026-02-10T11:42:11,240 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 2026-02-10T11:42:11,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B 2026-02-10T11:42:11,244 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 2026-02-10T11:42:11,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B 2026-02-10T11:42:11,247 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 2026-02-10T11:42:11,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A 2026-02-10T11:42:11,250 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 2026-02-10T11:42:11,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36 2026-02-10T11:42:11,254 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 2026-02-10T11:42:11,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25 2026-02-10T11:42:11,257 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 2026-02-10T11:42:11,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A 2026-02-10T11:42:11,261 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 2026-02-10T11:42:11,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12 2026-02-10T11:42:11,264 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 2026-02-10T11:42:11,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23 2026-02-10T11:42:11,268 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 2026-02-10T11:42:11,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48 2026-02-10T11:42:11,273 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 2026-02-10T11:42:11,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B 2026-02-10T11:42:11,276 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 2026-02-10T11:42:11,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A 2026-02-10T11:42:11,281 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 2026-02-10T11:42:11,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B 2026-02-10T11:42:11,284 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 2026-02-10T11:42:11,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A 2026-02-10T11:42:11,288 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 2026-02-10T11:42:11,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52 2026-02-10T11:42:11,292 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 2026-02-10T11:42:11,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B 2026-02-10T11:42:11,295 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 2026-02-10T11:42:11,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B 2026-02-10T11:42:11,298 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 2026-02-10T11:42:11,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A 2026-02-10T11:42:11,302 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 2026-02-10T11:42:11,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A 2026-02-10T11:42:11,306 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 2026-02-10T11:42:11,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A 2026-02-10T11:42:11,310 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 2026-02-10T11:42:11,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B 2026-02-10T11:42:11,314 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 2026-02-10T11:42:11,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49 2026-02-10T11:42:11,319 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 2026-02-10T11:42:11,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20 2026-02-10T11:42:11,322 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 2026-02-10T11:42:11,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A 2026-02-10T11:42:11,326 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 2026-02-10T11:42:11,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A 2026-02-10T11:42:11,329 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 2026-02-10T11:42:11,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B 2026-02-10T11:42:11,333 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 2026-02-10T11:42:11,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B 2026-02-10T11:42:11,337 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 2026-02-10T11:42:11,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A 2026-02-10T11:42:11,341 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 2026-02-10T11:42:11,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A 2026-02-10T11:42:11,344 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 2026-02-10T11:42:11,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24 2026-02-10T11:42:11,348 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 2026-02-10T11:42:11,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A 2026-02-10T11:42:11,352 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 2026-02-10T11:42:11,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55 2026-02-10T11:42:11,356 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 2026-02-10T11:42:11,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B 2026-02-10T11:42:11,360 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 2026-02-10T11:42:11,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53 2026-02-10T11:42:11,364 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 2026-02-10T11:42:11,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B 2026-02-10T11:42:11,368 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 2026-02-10T11:42:11,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B 2026-02-10T11:42:11,372 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 2026-02-10T11:42:11,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04 2026-02-10T11:42:11,375 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 2026-02-10T11:42:11,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54 2026-02-10T11:42:11,379 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 2026-02-10T11:42:11,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B 2026-02-10T11:42:11,383 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 2026-02-10T11:42:11,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B 2026-02-10T11:42:11,387 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 2026-02-10T11:42:11,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B 2026-02-10T11:42:11,390 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 2026-02-10T11:42:11,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A 2026-02-10T11:42:11,394 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 2026-02-10T11:42:11,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A 2026-02-10T11:42:11,398 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 2026-02-10T11:42:11,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40 2026-02-10T11:42:11,402 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 2026-02-10T11:42:11,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A 2026-02-10T11:42:11,407 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 2026-02-10T11:42:11,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B 2026-02-10T11:42:11,411 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 2026-02-10T11:42:11,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B 2026-02-10T11:42:11,415 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 2026-02-10T11:42:11,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57 2026-02-10T11:42:11,418 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 2026-02-10T11:42:11,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B 2026-02-10T11:42:11,422 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 2026-02-10T11:42:11,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A 2026-02-10T11:42:11,426 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 2026-02-10T11:42:11,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B 2026-02-10T11:42:11,430 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 2026-02-10T11:42:11,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A 2026-02-10T11:42:11,434 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 2026-02-10T11:42:11,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09 2026-02-10T11:42:11,438 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 2026-02-10T11:42:11,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A 2026-02-10T11:42:11,441 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 2026-02-10T11:42:11,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A 2026-02-10T11:42:11,445 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 2026-02-10T11:42:11,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A 2026-02-10T11:42:11,448 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 2026-02-10T11:42:11,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A 2026-02-10T11:42:11,452 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 2026-02-10T11:42:11,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A 2026-02-10T11:42:11,456 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 2026-02-10T11:42:11,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B 2026-02-10T11:42:11,460 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 2026-02-10T11:42:11,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B 2026-02-10T11:42:11,464 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 2026-02-10T11:42:11,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A 2026-02-10T11:42:11,468 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 2026-02-10T11:42:11,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58 2026-02-10T11:42:11,472 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 2026-02-10T11:42:11,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47 2026-02-10T11:42:11,477 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 2026-02-10T11:42:11,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06 2026-02-10T11:42:11,481 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 2026-02-10T11:42:11,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A 2026-02-10T11:42:11,485 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 2026-02-10T11:42:11,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A 2026-02-10T11:42:11,489 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 2026-02-10T11:42:11,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B 2026-02-10T11:42:11,494 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 2026-02-10T11:42:11,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A 2026-02-10T11:42:11,498 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 2026-02-10T11:42:11,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B 2026-02-10T11:42:11,503 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 2026-02-10T11:42:11,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A 2026-02-10T11:42:11,508 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 2026-02-10T11:42:11,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14 2026-02-10T11:42:11,511 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 2026-02-10T11:42:11,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66 2026-02-10T11:42:11,515 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 2026-02-10T11:42:11,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51 2026-02-10T11:42:11,519 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 2026-02-10T11:42:11,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50 2026-02-10T11:42:11,523 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 2026-02-10T11:42:11,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A 2026-02-10T11:42:11,528 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 2026-02-10T11:42:11,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03 2026-02-10T11:42:11,532 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 2026-02-10T11:42:11,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A 2026-02-10T11:42:11,536 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 2026-02-10T11:42:11,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A 2026-02-10T11:42:11,541 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 2026-02-10T11:42:11,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A 2026-02-10T11:42:11,544 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 2026-02-10T11:42:11,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B 2026-02-10T11:42:11,548 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 2026-02-10T11:42:11,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B 2026-02-10T11:42:11,551 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 2026-02-10T11:42:11,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44 2026-02-10T11:42:11,555 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 2026-02-10T11:42:11,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35 2026-02-10T11:42:11,559 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 2026-02-10T11:42:11,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32 2026-02-10T11:42:11,563 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 2026-02-10T11:42:11,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B 2026-02-10T11:42:11,568 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 2026-02-10T11:42:11,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56 2026-02-10T11:42:11,572 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 2026-02-10T11:42:11,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A 2026-02-10T11:42:11,576 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 2026-02-10T11:42:11,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21 2026-02-10T11:42:11,579 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 2026-02-10T11:42:11,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A 2026-02-10T11:42:11,583 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 2026-02-10T11:42:11,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B 2026-02-10T11:42:11,586 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 2026-02-10T11:42:11,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B 2026-02-10T11:42:11,590 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 2026-02-10T11:42:11,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61 2026-02-10T11:42:11,594 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 2026-02-10T11:42:11,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A 2026-02-10T11:42:11,597 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 2026-02-10T11:42:11,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B 2026-02-10T11:42:11,600 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 2026-02-10T11:42:11,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B 2026-02-10T11:42:11,604 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 2026-02-10T11:42:11,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01 2026-02-10T11:42:11,608 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 2026-02-10T11:42:11,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08 2026-02-10T11:42:11,612 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 2026-02-10T11:42:11,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B 2026-02-10T11:42:11,616 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 2026-02-10T11:42:11,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37 2026-02-10T11:42:11,620 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 2026-02-10T11:42:11,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A 2026-02-10T11:42:11,624 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 2026-02-10T11:42:11,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11 2026-02-10T11:42:11,628 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 2026-02-10T11:42:11,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B 2026-02-10T11:42:11,632 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 2026-02-10T11:42:11,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B 2026-02-10T11:42:11,636 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 2026-02-10T11:42:11,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A 2026-02-10T11:42:11,641 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 2026-02-10T11:42:11,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A 2026-02-10T11:42:11,645 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 2026-02-10T11:42:11,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A 2026-02-10T11:42:11,650 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 2026-02-10T11:42:11,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A 2026-02-10T11:42:11,653 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 2026-02-10T11:42:11,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B 2026-02-10T11:42:11,657 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 2026-02-10T11:42:11,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A 2026-02-10T11:42:11,660 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 2026-02-10T11:42:11,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B 2026-02-10T11:42:11,663 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 2026-02-10T11:42:11,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38 2026-02-10T11:42:11,668 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 2026-02-10T11:42:11,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A 2026-02-10T11:42:11,672 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 2026-02-10T11:42:11,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A 2026-02-10T11:42:11,676 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 2026-02-10T11:42:11,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B 2026-02-10T11:42:11,680 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 2026-02-10T11:42:11,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A 2026-02-10T11:42:11,684 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 2026-02-10T11:42:11,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46 2026-02-10T11:42:11,688 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 2026-02-10T11:42:11,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07 2026-02-10T11:42:11,692 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 2026-02-10T11:42:11,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B 2026-02-10T11:42:11,695 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 2026-02-10T11:42:11,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A 2026-02-10T11:42:11,699 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 2026-02-10T11:42:11,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29 2026-02-10T11:42:11,704 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 2026-02-10T11:42:11,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B 2026-02-10T11:42:11,709 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 2026-02-10T11:42:11,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B 2026-02-10T11:42:11,713 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 2026-02-10T11:42:11,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60 2026-02-10T11:42:11,717 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 2026-02-10T11:42:11,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A 2026-02-10T11:42:11,720 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 2026-02-10T11:42:11,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A 2026-02-10T11:42:11,725 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 2026-02-10T11:42:11,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63 2026-02-10T11:42:11,730 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 2026-02-10T11:42:11,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B 2026-02-10T11:42:11,734 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 2026-02-10T11:42:11,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B 2026-02-10T11:42:11,739 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 2026-02-10T11:42:11,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A 2026-02-10T11:42:11,743 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 2026-02-10T11:42:11,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A 2026-02-10T11:42:11,748 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 2026-02-10T11:42:11,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64 2026-02-10T11:42:11,752 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 2026-02-10T11:42:11,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18 2026-02-10T11:42:11,757 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 2026-02-10T11:42:11,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A 2026-02-10T11:42:11,761 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 2026-02-10T11:42:11,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17 2026-02-10T11:42:11,764 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 2026-02-10T11:42:11,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B 2026-02-10T11:42:11,768 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 2026-02-10T11:42:11,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62 2026-02-10T11:42:11,772 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 2026-02-10T11:42:11,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A 2026-02-10T11:42:11,776 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 2026-02-10T11:42:11,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26 2026-02-10T11:42:11,780 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 2026-02-10T11:42:11,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B 2026-02-10T11:42:11,784 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 2026-02-10T11:42:11,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B 2026-02-10T11:42:11,788 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 2026-02-10T11:42:11,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B 2026-02-10T11:42:11,792 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 2026-02-10T11:42:11,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10 2026-02-10T11:42:11,796 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 2026-02-10T11:42:11,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39 2026-02-10T11:42:11,799 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 2026-02-10T11:42:11,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59 2026-02-10T11:42:11,803 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 2026-02-10T11:42:11,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05 2026-02-10T11:42:11,806 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 2026-02-10T11:42:11,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A 2026-02-10T11:42:11,810 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 2026-02-10T11:42:11,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A 2026-02-10T11:42:11,814 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 2026-02-10T11:42:11,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B 2026-02-10T11:42:11,817 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 2026-02-10T11:42:11,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B 2026-02-10T11:42:11,821 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 2026-02-10T11:42:11,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B 2026-02-10T11:42:11,825 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 2026-02-10T11:42:11,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02 2026-02-10T11:42:11,828 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 2026-02-10T11:42:11,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65 2026-02-10T11:42:11,832 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 2026-02-10T11:42:11,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13 2026-02-10T11:42:11,836 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 2026-02-10T11:42:11,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A 2026-02-10T11:42:11,841 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 2026-02-10T11:42:11,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2026-02-10T11:42:11,845 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B 2026-02-10T11:42:11,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34 2026-02-10T11:42:11,849 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 2026-02-10T11:42:11,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15 2026-02-10T11:42:11,853 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 2026-02-10T11:42:11,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27 2026-02-10T11:42:11,857 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 2026-02-10T11:42:11,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A 2026-02-10T11:42:11,861 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 2026-02-10T11:42:11,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A 2026-02-10T11:42:11,865 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 2026-02-10T11:42:11,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B 2026-02-10T11:42:11,869 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 2026-02-10T11:42:11,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A 2026-02-10T11:42:11,873 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 2026-02-10T11:42:11,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B 2026-02-10T11:42:11,877 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 2026-02-10T11:42:11,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A 2026-02-10T11:42:11,881 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 2026-02-10T11:42:11,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B 2026-02-10T11:42:11,885 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 2026-02-10T11:42:11,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A 2026-02-10T11:42:11,890 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 2026-02-10T11:42:11,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B 2026-02-10T11:42:11,893 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 2026-02-10T11:42:11,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A 2026-02-10T11:42:11,897 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 2026-02-10T11:42:11,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B 2026-02-10T11:42:11,901 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 2026-02-10T11:42:11,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B 2026-02-10T11:42:11,905 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 2026-02-10T11:42:11,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31 2026-02-10T11:42:11,909 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 2026-02-10T11:42:11,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51 2026-02-10T11:42:11,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:11,917 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 2026-02-10T11:42:11,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:11,921 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 2026-02-10T11:42:11,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:11,926 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 2026-02-10T11:42:11,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:11,930 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 2026-02-10T11:42:11,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:11,933 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 2026-02-10T11:42:11,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene 2026-02-10T11:42:11,937 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 2026-02-10T11:42:11,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:42:11,942 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 2026-02-10T11:42:11,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:11,946 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 2026-02-10T11:42:11,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:11,950 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 2026-02-10T11:42:11,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:11,954 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 2026-02-10T11:42:11,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:11,958 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 2026-02-10T11:42:11,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:11,962 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 2026-02-10T11:42:11,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:11,966 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 2026-02-10T11:42:11,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:11,971 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 2026-02-10T11:42:11,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:11,976 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 2026-02-10T11:42:11,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:11,980 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 2026-02-10T11:42:11,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:11,985 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 2026-02-10T11:42:11,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:11,988 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 2026-02-10T11:42:11,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:11,993 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 2026-02-10T11:42:11,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl 2026-02-10T11:42:11,998 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 2026-02-10T11:42:12,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol 2026-02-10T11:42:12,003 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 2026-02-10T11:42:12,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:42:12,007 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 2026-02-10T11:42:12,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2 2026-02-10T11:42:12,011 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 2026-02-10T11:42:12,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:12,015 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 2026-02-10T11:42:12,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:42:12,019 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 2026-02-10T11:42:12,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:12,023 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 2026-02-10T11:42:12,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO 2026-02-10T11:42:12,028 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 2026-02-10T11:42:12,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:12,032 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 2026-02-10T11:42:12,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:12,036 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 2026-02-10T11:42:12,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:12,041 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 2026-02-10T11:42:12,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:12,045 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 2026-02-10T11:42:12,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:12,050 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 2026-02-10T11:42:12,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:12,053 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 2026-02-10T11:42:12,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:12,057 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 2026-02-10T11:42:12,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne 2026-02-10T11:42:12,061 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 2026-02-10T11:42:12,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:12,065 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 2026-02-10T11:42:12,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:12,069 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 2026-02-10T11:42:12,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:42:12,074 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 2026-02-10T11:42:12,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:12,078 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 2026-02-10T11:42:12,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:42:12,082 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 2026-02-10T11:42:12,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:12,085 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 2026-02-10T11:42:12,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S 2026-02-10T11:42:12,089 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 2026-02-10T11:42:12,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:42:12,093 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 2026-02-10T11:42:12,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:12,097 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 2026-02-10T11:42:12,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:12,100 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 2026-02-10T11:42:12,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:12,104 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 2026-02-10T11:42:12,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:12,107 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 2026-02-10T11:42:12,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:12,111 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 2026-02-10T11:42:12,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:42:12,114 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 2026-02-10T11:42:12,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:12,118 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 2026-02-10T11:42:12,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:12,122 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 2026-02-10T11:42:12,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:12,125 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 2026-02-10T11:42:12,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN 2026-02-10T11:42:12,129 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 2026-02-10T11:42:12,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO 2026-02-10T11:42:12,133 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 2026-02-10T11:42:12,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:12,138 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 2026-02-10T11:42:12,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2 2026-02-10T11:42:12,142 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 2026-02-10T11:42:12,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O 2026-02-10T11:42:12,147 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 2026-02-10T11:42:12,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:12,152 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 2026-02-10T11:42:12,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:12,156 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 2026-02-10T11:42:12,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene 2026-02-10T11:42:12,160 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 2026-02-10T11:42:12,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:12,164 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 2026-02-10T11:42:12,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:12,168 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 2026-02-10T11:42:12,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol 2026-02-10T11:42:12,172 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 2026-02-10T11:42:12,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:12,177 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 2026-02-10T11:42:12,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:12,181 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 2026-02-10T11:42:12,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:12,185 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 2026-02-10T11:42:12,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:42:12,188 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 2026-02-10T11:42:12,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:12,192 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 2026-02-10T11:42:12,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:42:12,195 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 2026-02-10T11:42:12,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2 2026-02-10T11:42:12,199 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 2026-02-10T11:42:12,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:12,202 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 2026-02-10T11:42:12,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:12,206 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 2026-02-10T11:42:12,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:12,209 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 2026-02-10T11:42:12,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:12,213 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 2026-02-10T11:42:12,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:12,216 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 2026-02-10T11:42:12,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2 2026-02-10T11:42:12,220 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 2026-02-10T11:42:12,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3 2026-02-10T11:42:12,223 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 2026-02-10T11:42:12,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene 2026-02-10T11:42:12,227 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 2026-02-10T11:42:12,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione 2026-02-10T11:42:12,230 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 2026-02-10T11:42:12,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:12,234 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 2026-02-10T11:42:12,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:12,239 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 2026-02-10T11:42:12,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:12,244 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 2026-02-10T11:42:12,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:12,247 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 2026-02-10T11:42:12,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol 2026-02-10T11:42:12,251 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 2026-02-10T11:42:12,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:12,255 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 2026-02-10T11:42:12,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2 2026-02-10T11:42:12,259 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 2026-02-10T11:42:12,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:42:12,262 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 2026-02-10T11:42:12,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC 2026-02-10T11:42:12,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:12,270 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 2026-02-10T11:42:12,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:12,273 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 2026-02-10T11:42:12,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co 2026-02-10T11:42:12,277 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 2026-02-10T11:42:12,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:12,280 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 2026-02-10T11:42:12,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:12,284 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- 2026-02-10T11:42:12,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:12,287 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 2026-02-10T11:42:12,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:12,290 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 2026-02-10T11:42:12,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:12,294 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 2026-02-10T11:42:12,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl 2026-02-10T11:42:12,297 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 2026-02-10T11:42:12,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:12,301 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 2026-02-10T11:42:12,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:12,304 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 2026-02-10T11:42:12,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:12,308 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 2026-02-10T11:42:12,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:12,311 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 2026-02-10T11:42:12,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:12,315 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 2026-02-10T11:42:12,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:12,319 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 2026-02-10T11:42:12,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS 2026-02-10T11:42:12,323 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 2026-02-10T11:42:12,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:12,326 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 2026-02-10T11:42:12,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:12,329 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 2026-02-10T11:42:12,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:12,333 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 2026-02-10T11:42:12,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:12,336 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 2026-02-10T11:42:12,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:12,340 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 2026-02-10T11:42:12,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:12,343 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 2026-02-10T11:42:12,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:12,347 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 2026-02-10T11:42:12,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:12,351 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 2026-02-10T11:42:12,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:12,355 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 2026-02-10T11:42:12,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2 2026-02-10T11:42:12,359 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 2026-02-10T11:42:12,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:12,363 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 2026-02-10T11:42:12,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf 2026-02-10T11:42:12,368 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 2026-02-10T11:42:12,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:12,372 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 2026-02-10T11:42:12,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:12,376 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 2026-02-10T11:42:12,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:12,381 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 2026-02-10T11:42:12,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:12,385 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 2026-02-10T11:42:12,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH 2026-02-10T11:42:12,388 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 2026-02-10T11:42:12,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:12,392 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 2026-02-10T11:42:12,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:12,395 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 2026-02-10T11:42:12,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:12,399 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 2026-02-10T11:42:12,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:12,402 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 2026-02-10T11:42:12,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:12,406 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 2026-02-10T11:42:12,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2 2026-02-10T11:42:12,409 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 2026-02-10T11:42:12,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:12,413 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 2026-02-10T11:42:12,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:12,416 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 2026-02-10T11:42:12,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:12,420 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- 2026-02-10T11:42:12,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:12,423 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 2026-02-10T11:42:12,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:12,427 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 2026-02-10T11:42:12,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:12,431 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 2026-02-10T11:42:12,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f- 2026-02-10T11:42:12,434 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- 2026-02-10T11:42:12,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:12,438 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 2026-02-10T11:42:12,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:12,441 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 2026-02-10T11:42:12,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:12,445 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 2026-02-10T11:42:12,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:12,449 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 2026-02-10T11:42:12,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:12,452 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 2026-02-10T11:42:12,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco 2026-02-10T11:42:12,457 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 2026-02-10T11:42:12,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:12,461 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 2026-02-10T11:42:12,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:12,465 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 2026-02-10T11:42:12,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:12,468 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 2026-02-10T11:42:12,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:12,473 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 2026-02-10T11:42:12,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:12,476 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 2026-02-10T11:42:12,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:12,480 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 2026-02-10T11:42:12,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf 2026-02-10T11:42:12,485 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 2026-02-10T11:42:12,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:12,488 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 2026-02-10T11:42:12,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:12,492 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 2026-02-10T11:42:12,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:12,495 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 2026-02-10T11:42:12,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:12,499 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 2026-02-10T11:42:12,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:12,502 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 2026-02-10T11:42:12,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:12,505 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 2026-02-10T11:42:12,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f 2026-02-10T11:42:12,512 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 2026-02-10T11:42:12,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:12,517 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 2026-02-10T11:42:12,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:12,521 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 2026-02-10T11:42:12,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:12,524 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 2026-02-10T11:42:12,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:12,528 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 2026-02-10T11:42:12,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2 2026-02-10T11:42:12,531 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 2026-02-10T11:42:12,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:12,535 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 2026-02-10T11:42:12,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O 2026-02-10T11:42:12,538 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 2026-02-10T11:42:12,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh 2026-02-10T11:42:12,541 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 2026-02-10T11:42:12,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:12,546 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 2026-02-10T11:42:12,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:12,551 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 2026-02-10T11:42:12,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:12,556 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 2026-02-10T11:42:12,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:12,561 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 2026-02-10T11:42:12,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:12,564 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 2026-02-10T11:42:12,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:12,567 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 2026-02-10T11:42:12,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:12,572 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 2026-02-10T11:42:12,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:12,576 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 2026-02-10T11:42:12,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:12,580 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 2026-02-10T11:42:12,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h 2026-02-10T11:42:12,584 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 2026-02-10T11:42:12,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:12,589 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 2026-02-10T11:42:12,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:12,593 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 2026-02-10T11:42:12,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23 2026-02-10T11:42:12,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a 2026-02-10T11:42:12,601 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 2026-02-10T11:42:12,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8 2026-02-10T11:42:12,606 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 2026-02-10T11:42:12,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b 2026-02-10T11:42:12,610 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 2026-02-10T11:42:12,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b 2026-02-10T11:42:12,614 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 2026-02-10T11:42:12,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a 2026-02-10T11:42:12,618 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 2026-02-10T11:42:12,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b 2026-02-10T11:42:12,622 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 2026-02-10T11:42:12,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a 2026-02-10T11:42:12,625 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 2026-02-10T11:42:12,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19 2026-02-10T11:42:12,628 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 2026-02-10T11:42:12,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b 2026-02-10T11:42:12,632 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 2026-02-10T11:42:12,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a 2026-02-10T11:42:12,636 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 2026-02-10T11:42:12,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b 2026-02-10T11:42:12,640 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 2026-02-10T11:42:12,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16 2026-02-10T11:42:12,644 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 2026-02-10T11:42:12,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9 2026-02-10T11:42:12,647 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 2026-02-10T11:42:12,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b 2026-02-10T11:42:12,652 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 2026-02-10T11:42:12,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a 2026-02-10T11:42:12,657 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 2026-02-10T11:42:12,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b 2026-02-10T11:42:12,660 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 2026-02-10T11:42:12,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a 2026-02-10T11:42:12,664 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 2026-02-10T11:42:12,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22 2026-02-10T11:42:12,668 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 2026-02-10T11:42:12,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b 2026-02-10T11:42:12,673 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 2026-02-10T11:42:12,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b 2026-02-10T11:42:12,678 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 2026-02-10T11:42:12,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b 2026-02-10T11:42:12,682 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 2026-02-10T11:42:12,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b 2026-02-10T11:42:12,687 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 2026-02-10T11:42:12,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12 2026-02-10T11:42:12,691 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 2026-02-10T11:42:12,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23 2026-02-10T11:42:12,695 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 2026-02-10T11:42:12,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a 2026-02-10T11:42:12,700 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 2026-02-10T11:42:12,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b 2026-02-10T11:42:12,704 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 2026-02-10T11:42:12,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20 2026-02-10T11:42:12,708 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 2026-02-10T11:42:12,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4 2026-02-10T11:42:12,714 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 2026-02-10T11:42:12,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a 2026-02-10T11:42:12,719 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 2026-02-10T11:42:12,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a 2026-02-10T11:42:12,723 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 2026-02-10T11:42:12,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a 2026-02-10T11:42:12,728 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 2026-02-10T11:42:12,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a 2026-02-10T11:42:12,732 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 2026-02-10T11:42:12,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3 2026-02-10T11:42:12,737 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 2026-02-10T11:42:12,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a 2026-02-10T11:42:12,742 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 2026-02-10T11:42:12,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a 2026-02-10T11:42:12,746 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 2026-02-10T11:42:12,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a 2026-02-10T11:42:12,751 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 2026-02-10T11:42:12,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14 2026-02-10T11:42:12,755 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 2026-02-10T11:42:12,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b 2026-02-10T11:42:12,760 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 2026-02-10T11:42:12,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b 2026-02-10T11:42:12,764 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 2026-02-10T11:42:12,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b 2026-02-10T11:42:12,769 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 2026-02-10T11:42:12,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2 2026-02-10T11:42:12,775 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 2026-02-10T11:42:12,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a 2026-02-10T11:42:12,779 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 2026-02-10T11:42:12,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7 2026-02-10T11:42:12,784 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 2026-02-10T11:42:12,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b 2026-02-10T11:42:12,789 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 2026-02-10T11:42:12,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a 2026-02-10T11:42:12,794 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 2026-02-10T11:42:12,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21 2026-02-10T11:42:12,798 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 2026-02-10T11:42:12,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a 2026-02-10T11:42:12,802 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 2026-02-10T11:42:12,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a 2026-02-10T11:42:12,805 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 2026-02-10T11:42:12,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b 2026-02-10T11:42:12,809 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 2026-02-10T11:42:12,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b 2026-02-10T11:42:12,812 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 2026-02-10T11:42:12,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11 2026-02-10T11:42:12,815 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 2026-02-10T11:42:12,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5 2026-02-10T11:42:12,819 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 2026-02-10T11:42:12,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a 2026-02-10T11:42:12,822 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 2026-02-10T11:42:12,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b 2026-02-10T11:42:12,826 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 2026-02-10T11:42:12,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a 2026-02-10T11:42:12,829 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 2026-02-10T11:42:12,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1 2026-02-10T11:42:12,833 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 2026-02-10T11:42:12,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a 2026-02-10T11:42:12,837 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 2026-02-10T11:42:12,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b 2026-02-10T11:42:12,842 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 2026-02-10T11:42:12,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18 2026-02-10T11:42:12,846 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 2026-02-10T11:42:12,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17 2026-02-10T11:42:12,850 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 2026-02-10T11:42:12,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6 2026-02-10T11:42:12,855 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 2026-02-10T11:42:12,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b 2026-02-10T11:42:12,860 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 2026-02-10T11:42:12,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10 2026-02-10T11:42:12,865 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 2026-02-10T11:42:12,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a 2026-02-10T11:42:12,870 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 2026-02-10T11:42:12,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b 2026-02-10T11:42:12,875 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 2026-02-10T11:42:12,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a 2026-02-10T11:42:12,880 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 2026-02-10T11:42:12,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13 2026-02-10T11:42:12,885 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 2026-02-10T11:42:12,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15 2026-02-10T11:42:12,890 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 2026-02-10T11:42:12,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b 2026-02-10T11:42:12,895 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 2026-02-10T11:42:12,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel 2026-02-10T11:42:12,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3 2026-02-10T11:42:12,903 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 2026-02-10T11:42:12,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42 2026-02-10T11:42:12,910 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 2026-02-10T11:42:12,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:12,915 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 2026-02-10T11:42:12,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:12,921 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 2026-02-10T11:42:12,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0 2026-02-10T11:42:12,926 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 2026-02-10T11:42:12,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2 2026-02-10T11:42:12,931 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 2026-02-10T11:42:12,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1 2026-02-10T11:42:12,936 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 2026-02-10T11:42:12,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:12,941 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 2026-02-10T11:42:12,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:12,946 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 2026-02-10T11:42:12,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41 2026-02-10T11:42:12,951 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 2026-02-10T11:42:12,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3 2026-02-10T11:42:12,956 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 2026-02-10T11:42:12,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4 2026-02-10T11:42:12,962 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 2026-02-10T11:42:12,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0 2026-02-10T11:42:12,968 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 2026-02-10T11:42:12,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:12,973 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 2026-02-10T11:42:12,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2 2026-02-10T11:42:12,978 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 2026-02-10T11:42:12,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:12,983 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 2026-02-10T11:42:12,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2 2026-02-10T11:42:12,987 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 2026-02-10T11:42:12,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:12,993 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 2026-02-10T11:42:12,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0 2026-02-10T11:42:12,997 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 2026-02-10T11:42:13,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1 2026-02-10T11:42:13,001 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 2026-02-10T11:42:13,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:13,006 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 2026-02-10T11:42:13,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0 2026-02-10T11:42:13,011 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 2026-02-10T11:42:13,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:13,016 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 2026-02-10T11:42:13,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:13,021 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 2026-02-10T11:42:13,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:13,025 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 2026-02-10T11:42:13,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1 2026-02-10T11:42:13,031 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 2026-02-10T11:42:13,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2 2026-02-10T11:42:13,035 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 2026-02-10T11:42:13,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3 2026-02-10T11:42:13,040 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 2026-02-10T11:42:13,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2 2026-02-10T11:42:13,045 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 2026-02-10T11:42:13,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:13,051 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 2026-02-10T11:42:13,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0 2026-02-10T11:42:13,056 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 2026-02-10T11:42:13,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20 2026-02-10T11:42:13,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48 2026-02-10T11:42:13,065 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 2026-02-10T11:42:13,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22 2026-02-10T11:42:13,069 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 2026-02-10T11:42:13,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26 2026-02-10T11:42:13,074 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 2026-02-10T11:42:13,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47 2026-02-10T11:42:13,080 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 2026-02-10T11:42:13,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43 2026-02-10T11:42:13,085 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 2026-02-10T11:42:13,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49 2026-02-10T11:42:13,089 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 2026-02-10T11:42:13,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20 2026-02-10T11:42:13,094 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 2026-02-10T11:42:13,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26 2026-02-10T11:42:13,099 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 2026-02-10T11:42:13,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43 2026-02-10T11:42:13,103 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 2026-02-10T11:42:13,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25 2026-02-10T11:42:13,107 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 2026-02-10T11:42:13,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51 2026-02-10T11:42:13,111 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 2026-02-10T11:42:13,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52 2026-02-10T11:42:13,116 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 2026-02-10T11:42:13,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60 2026-02-10T11:42:13,121 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 2026-02-10T11:42:13,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29 2026-02-10T11:42:13,126 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 2026-02-10T11:42:13,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56 2026-02-10T11:42:13,131 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 2026-02-10T11:42:13,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49 2026-02-10T11:42:13,136 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 2026-02-10T11:42:13,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48 2026-02-10T11:42:13,141 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 2026-02-10T11:42:13,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40 2026-02-10T11:42:13,146 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 2026-02-10T11:42:13,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40 2026-02-10T11:42:13,151 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 2026-02-10T11:42:13,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52 2026-02-10T11:42:13,155 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 2026-02-10T11:42:13,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21 2026-02-10T11:42:13,159 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 2026-02-10T11:42:13,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22 2026-02-10T11:42:13,165 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 2026-02-10T11:42:13,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51 2026-02-10T11:42:13,169 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 2026-02-10T11:42:13,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46 2026-02-10T11:42:13,174 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 2026-02-10T11:42:13,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57 2026-02-10T11:42:13,179 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 2026-02-10T11:42:13,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45 2026-02-10T11:42:13,184 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 2026-02-10T11:42:13,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44 2026-02-10T11:42:13,189 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 2026-02-10T11:42:13,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46 2026-02-10T11:42:13,194 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 2026-02-10T11:42:13,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45 2026-02-10T11:42:13,198 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 2026-02-10T11:42:13,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20 2026-02-10T11:42:13,203 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 2026-02-10T11:42:13,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60 2026-02-10T11:42:13,208 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 2026-02-10T11:42:13,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56 2026-02-10T11:42:13,212 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 2026-02-10T11:42:13,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44 2026-02-10T11:42:13,216 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 2026-02-10T11:42:13,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25 2026-02-10T11:42:13,221 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 2026-02-10T11:42:13,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47 2026-02-10T11:42:13,226 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 2026-02-10T11:42:13,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28 2026-02-10T11:42:13,231 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 2026-02-10T11:42:13,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18 2026-02-10T11:42:13,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:13,238 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 2026-02-10T11:42:13,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:13,243 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 2026-02-10T11:42:13,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:13,247 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 2026-02-10T11:42:13,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:13,251 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 2026-02-10T11:42:13,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:13,255 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 2026-02-10T11:42:13,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:13,260 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 2026-02-10T11:42:13,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:13,264 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 2026-02-10T11:42:13,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:13,268 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 2026-02-10T11:42:13,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:13,272 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 2026-02-10T11:42:13,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:13,277 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 2026-02-10T11:42:13,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:13,282 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 2026-02-10T11:42:13,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:13,286 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 2026-02-10T11:42:13,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:13,291 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 2026-02-10T11:42:13,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:13,295 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 2026-02-10T11:42:13,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:13,300 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 2026-02-10T11:42:13,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:13,304 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 2026-02-10T11:42:13,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:13,308 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 2026-02-10T11:42:13,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:13,312 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 2026-02-10T11:42:13,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:13,316 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 2026-02-10T11:42:13,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:13,321 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 2026-02-10T11:42:13,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:13,325 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 2026-02-10T11:42:13,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:13,330 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 2026-02-10T11:42:13,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:13,335 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 2026-02-10T11:42:13,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:13,340 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 2026-02-10T11:42:13,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:13,345 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 2026-02-10T11:42:13,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:13,349 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 2026-02-10T11:42:13,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:13,354 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 2026-02-10T11:42:13,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:13,358 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 2026-02-10T11:42:13,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:13,363 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 2026-02-10T11:42:13,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC 2026-02-10T11:42:13,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X 2026-02-10T11:42:13,369 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 2026-02-10T11:42:13,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein 2026-02-10T11:42:13,374 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 2026-02-10T11:42:13,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9 2026-02-10T11:42:13,378 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 2026-02-10T11:42:13,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1 2026-02-10T11:42:13,383 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 2026-02-10T11:42:13,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2 2026-02-10T11:42:13,387 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 2026-02-10T11:42:13,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3 2026-02-10T11:42:13,392 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 2026-02-10T11:42:13,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10 2026-02-10T11:42:13,397 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 2026-02-10T11:42:13,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane 2026-02-10T11:42:13,401 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 2026-02-10T11:42:13,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine 2026-02-10T11:42:13,406 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 2026-02-10T11:42:13,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:13,411 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 2026-02-10T11:42:13,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene 2026-02-10T11:42:13,415 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 2026-02-10T11:42:13,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene 2026-02-10T11:42:13,420 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 2026-02-10T11:42:13,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5 2026-02-10T11:42:13,425 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 2026-02-10T11:42:13,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X 2026-02-10T11:42:13,431 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 2026-02-10T11:42:13,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4 2026-02-10T11:42:13,436 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 2026-02-10T11:42:13,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X 2026-02-10T11:42:13,441 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 2026-02-10T11:42:13,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene 2026-02-10T11:42:13,446 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 2026-02-10T11:42:13,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X 2026-02-10T11:42:13,451 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 2026-02-10T11:42:13,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7 2026-02-10T11:42:13,457 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 2026-02-10T11:42:13,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8 2026-02-10T11:42:13,463 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 2026-02-10T11:42:13,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6 2026-02-10T11:42:13,468 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 2026-02-10T11:42:13,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:13,474 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 2026-02-10T11:42:13,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43 2026-02-10T11:42:13,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27 2026-02-10T11:42:13,483 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 2026-02-10T11:42:13,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32 2026-02-10T11:42:13,488 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 2026-02-10T11:42:13,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34 2026-02-10T11:42:13,493 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 2026-02-10T11:42:13,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22 2026-02-10T11:42:13,498 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 2026-02-10T11:42:13,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38 2026-02-10T11:42:13,503 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 2026-02-10T11:42:13,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31 2026-02-10T11:42:13,508 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 2026-02-10T11:42:13,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45 2026-02-10T11:42:13,514 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 2026-02-10T11:42:13,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6 2026-02-10T11:42:13,518 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 2026-02-10T11:42:13,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43 2026-02-10T11:42:13,522 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 2026-02-10T11:42:13,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21 2026-02-10T11:42:13,525 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 2026-02-10T11:42:13,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34 2026-02-10T11:42:13,529 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 2026-02-10T11:42:13,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7 2026-02-10T11:42:13,534 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 2026-02-10T11:42:13,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9 2026-02-10T11:42:13,537 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 2026-02-10T11:42:13,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29 2026-02-10T11:42:13,541 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 2026-02-10T11:42:13,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26 2026-02-10T11:42:13,544 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 2026-02-10T11:42:13,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37 2026-02-10T11:42:13,548 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 2026-02-10T11:42:13,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1 2026-02-10T11:42:13,553 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 2026-02-10T11:42:13,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26 2026-02-10T11:42:13,557 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 2026-02-10T11:42:13,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39 2026-02-10T11:42:13,562 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 2026-02-10T11:42:13,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44 2026-02-10T11:42:13,566 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 2026-02-10T11:42:13,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9 2026-02-10T11:42:13,571 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 2026-02-10T11:42:13,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32 2026-02-10T11:42:13,577 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 2026-02-10T11:42:13,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31 2026-02-10T11:42:13,582 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 2026-02-10T11:42:13,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19 2026-02-10T11:42:13,586 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 2026-02-10T11:42:13,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18 2026-02-10T11:42:13,591 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 2026-02-10T11:42:13,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16 2026-02-10T11:42:13,595 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 2026-02-10T11:42:13,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21 2026-02-10T11:42:13,600 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 2026-02-10T11:42:13,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41 2026-02-10T11:42:13,604 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 2026-02-10T11:42:13,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1 2026-02-10T11:42:13,609 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 2026-02-10T11:42:13,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18 2026-02-10T11:42:13,613 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 2026-02-10T11:42:13,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12 2026-02-10T11:42:13,618 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 2026-02-10T11:42:13,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29 2026-02-10T11:42:13,623 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 2026-02-10T11:42:13,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2 2026-02-10T11:42:13,628 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 2026-02-10T11:42:13,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17 2026-02-10T11:42:13,633 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 2026-02-10T11:42:13,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25 2026-02-10T11:42:13,638 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 2026-02-10T11:42:13,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40 2026-02-10T11:42:13,643 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 2026-02-10T11:42:13,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27 2026-02-10T11:42:13,647 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 2026-02-10T11:42:13,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40 2026-02-10T11:42:13,651 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 2026-02-10T11:42:13,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3 2026-02-10T11:42:13,656 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 2026-02-10T11:42:13,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24 2026-02-10T11:42:13,660 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 2026-02-10T11:42:13,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10 2026-02-10T11:42:13,665 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 2026-02-10T11:42:13,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13 2026-02-10T11:42:13,669 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 2026-02-10T11:42:13,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20 2026-02-10T11:42:13,672 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 2026-02-10T11:42:13,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30 2026-02-10T11:42:13,677 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 2026-02-10T11:42:13,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33 2026-02-10T11:42:13,681 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 2026-02-10T11:42:13,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4 2026-02-10T11:42:13,685 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 2026-02-10T11:42:13,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8 2026-02-10T11:42:13,690 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 2026-02-10T11:42:13,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22 2026-02-10T11:42:13,694 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 2026-02-10T11:42:13,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42 2026-02-10T11:42:13,699 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 2026-02-10T11:42:13,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15 2026-02-10T11:42:13,703 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 2026-02-10T11:42:13,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3 2026-02-10T11:42:13,706 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 2026-02-10T11:42:13,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23 2026-02-10T11:42:13,710 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 2026-02-10T11:42:13,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24 2026-02-10T11:42:13,713 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 2026-02-10T11:42:13,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11 2026-02-10T11:42:13,718 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 2026-02-10T11:42:13,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42 2026-02-10T11:42:13,722 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 2026-02-10T11:42:13,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39 2026-02-10T11:42:13,726 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 2026-02-10T11:42:13,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36 2026-02-10T11:42:13,730 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 2026-02-10T11:42:13,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12 2026-02-10T11:42:13,734 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 2026-02-10T11:42:13,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5 2026-02-10T11:42:13,739 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 2026-02-10T11:42:13,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2026-02-10T11:42:13,743 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23 2026-02-10T11:42:13,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4 2026-02-10T11:42:13,748 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 2026-02-10T11:42:13,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43 2026-02-10T11:42:13,752 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 2026-02-10T11:42:13,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2 2026-02-10T11:42:13,756 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 2026-02-10T11:42:13,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15 2026-02-10T11:42:13,760 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 2026-02-10T11:42:13,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36 2026-02-10T11:42:13,764 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 2026-02-10T11:42:13,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37 2026-02-10T11:42:13,767 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 2026-02-10T11:42:13,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35 2026-02-10T11:42:13,771 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 2026-02-10T11:42:13,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19 2026-02-10T11:42:13,774 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 2026-02-10T11:42:13,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28 2026-02-10T11:42:13,778 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 2026-02-10T11:42:13,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33 2026-02-10T11:42:13,781 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 2026-02-10T11:42:13,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35 2026-02-10T11:42:13,785 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 2026-02-10T11:42:13,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5 2026-02-10T11:42:13,789 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 2026-02-10T11:42:13,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11 2026-02-10T11:42:13,794 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 2026-02-10T11:42:13,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45 2026-02-10T11:42:13,799 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 2026-02-10T11:42:13,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20 2026-02-10T11:42:13,805 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 2026-02-10T11:42:13,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38 2026-02-10T11:42:13,809 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 2026-02-10T11:42:13,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44 2026-02-10T11:42:13,814 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 2026-02-10T11:42:13,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16 2026-02-10T11:42:13,817 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 2026-02-10T11:42:13,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28 2026-02-10T11:42:13,821 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 2026-02-10T11:42:13,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17 2026-02-10T11:42:13,826 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 2026-02-10T11:42:13,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25 2026-02-10T11:42:13,830 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 2026-02-10T11:42:13,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30 2026-02-10T11:42:13,835 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 2026-02-10T11:42:13,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7 2026-02-10T11:42:13,840 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 2026-02-10T11:42:13,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8 2026-02-10T11:42:13,844 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 2026-02-10T11:42:13,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41 2026-02-10T11:42:13,847 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 2026-02-10T11:42:13,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13 2026-02-10T11:42:13,851 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 2026-02-10T11:42:13,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6 2026-02-10T11:42:13,855 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 2026-02-10T11:42:13,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10 2026-02-10T11:42:13,860 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 2026-02-10T11:42:13,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21 2026-02-10T11:42:13,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8 2026-02-10T11:42:13,868 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 2026-02-10T11:42:13,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B 2026-02-10T11:42:13,873 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 2026-02-10T11:42:13,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B 2026-02-10T11:42:13,877 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 2026-02-10T11:42:13,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B 2026-02-10T11:42:13,881 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 2026-02-10T11:42:13,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19 2026-02-10T11:42:13,885 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 2026-02-10T11:42:13,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B 2026-02-10T11:42:13,888 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 2026-02-10T11:42:13,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A 2026-02-10T11:42:13,892 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 2026-02-10T11:42:13,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16 2026-02-10T11:42:13,896 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 2026-02-10T11:42:13,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9 2026-02-10T11:42:13,900 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 2026-02-10T11:42:13,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B 2026-02-10T11:42:13,903 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 2026-02-10T11:42:13,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A 2026-02-10T11:42:13,908 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 2026-02-10T11:42:13,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B 2026-02-10T11:42:13,912 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 2026-02-10T11:42:13,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B 2026-02-10T11:42:13,917 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 2026-02-10T11:42:13,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12 2026-02-10T11:42:13,921 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 2026-02-10T11:42:13,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A 2026-02-10T11:42:13,926 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 2026-02-10T11:42:13,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B 2026-02-10T11:42:13,930 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 2026-02-10T11:42:13,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B 2026-02-10T11:42:13,934 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 2026-02-10T11:42:13,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A 2026-02-10T11:42:13,937 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 2026-02-10T11:42:13,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A 2026-02-10T11:42:13,941 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 2026-02-10T11:42:13,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B 2026-02-10T11:42:13,945 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 2026-02-10T11:42:13,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A 2026-02-10T11:42:13,949 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 2026-02-10T11:42:13,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20 2026-02-10T11:42:13,954 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 2026-02-10T11:42:13,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A 2026-02-10T11:42:13,958 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 2026-02-10T11:42:13,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A 2026-02-10T11:42:13,961 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 2026-02-10T11:42:13,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4 2026-02-10T11:42:13,965 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 2026-02-10T11:42:13,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A 2026-02-10T11:42:13,970 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 2026-02-10T11:42:13,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A 2026-02-10T11:42:13,973 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 2026-02-10T11:42:13,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B 2026-02-10T11:42:13,978 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 2026-02-10T11:42:13,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B 2026-02-10T11:42:13,982 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 2026-02-10T11:42:13,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A 2026-02-10T11:42:13,985 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 2026-02-10T11:42:13,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A 2026-02-10T11:42:13,989 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 2026-02-10T11:42:13,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3 2026-02-10T11:42:13,992 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 2026-02-10T11:42:13,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B 2026-02-10T11:42:13,996 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 2026-02-10T11:42:13,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A 2026-02-10T11:42:14,001 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 2026-02-10T11:42:14,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A 2026-02-10T11:42:14,005 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 2026-02-10T11:42:14,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A 2026-02-10T11:42:14,009 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 2026-02-10T11:42:14,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A 2026-02-10T11:42:14,013 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 2026-02-10T11:42:14,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14 2026-02-10T11:42:14,016 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 2026-02-10T11:42:14,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2 2026-02-10T11:42:14,019 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 2026-02-10T11:42:14,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7 2026-02-10T11:42:14,023 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 2026-02-10T11:42:14,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21 2026-02-10T11:42:14,027 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 2026-02-10T11:42:14,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B 2026-02-10T11:42:14,030 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 2026-02-10T11:42:14,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B 2026-02-10T11:42:14,034 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 2026-02-10T11:42:14,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B 2026-02-10T11:42:14,037 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 2026-02-10T11:42:14,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A 2026-02-10T11:42:14,041 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 2026-02-10T11:42:14,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11 2026-02-10T11:42:14,045 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 2026-02-10T11:42:14,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B 2026-02-10T11:42:14,049 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 2026-02-10T11:42:14,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5 2026-02-10T11:42:14,053 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 2026-02-10T11:42:14,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1 2026-02-10T11:42:14,058 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 2026-02-10T11:42:14,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B 2026-02-10T11:42:14,061 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 2026-02-10T11:42:14,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18 2026-02-10T11:42:14,066 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 2026-02-10T11:42:14,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17 2026-02-10T11:42:14,070 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 2026-02-10T11:42:14,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A 2026-02-10T11:42:14,075 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 2026-02-10T11:42:14,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6 2026-02-10T11:42:14,079 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 2026-02-10T11:42:14,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A 2026-02-10T11:42:14,083 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 2026-02-10T11:42:14,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B 2026-02-10T11:42:14,087 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 2026-02-10T11:42:14,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B 2026-02-10T11:42:14,092 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 2026-02-10T11:42:14,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10 2026-02-10T11:42:14,096 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 2026-02-10T11:42:14,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B 2026-02-10T11:42:14,100 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 2026-02-10T11:42:14,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13 2026-02-10T11:42:14,104 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 2026-02-10T11:42:14,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A 2026-02-10T11:42:14,108 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 2026-02-10T11:42:14,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2026-02-10T11:42:14,113 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15 2026-02-10T11:42:14,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A 2026-02-10T11:42:14,117 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 2026-02-10T11:42:14,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6 2026-02-10T11:42:14,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B 2026-02-10T11:42:14,123 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 2026-02-10T11:42:14,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B 2026-02-10T11:42:14,127 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 2026-02-10T11:42:14,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22 2026-02-10T11:42:14,132 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 2026-02-10T11:42:14,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25 2026-02-10T11:42:14,136 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 2026-02-10T11:42:14,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23 2026-02-10T11:42:14,140 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 2026-02-10T11:42:14,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B 2026-02-10T11:42:14,145 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 2026-02-10T11:42:14,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24 2026-02-10T11:42:14,149 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 2026-02-10T11:42:14,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B 2026-02-10T11:42:14,154 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 2026-02-10T11:42:14,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B 2026-02-10T11:42:14,158 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 2026-02-10T11:42:14,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A 2026-02-10T11:42:14,162 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 2026-02-10T11:42:14,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A 2026-02-10T11:42:14,167 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 2026-02-10T11:42:14,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A 2026-02-10T11:42:14,170 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 2026-02-10T11:42:14,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A 2026-02-10T11:42:14,174 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 2026-02-10T11:42:14,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26 2026-02-10T11:42:14,179 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 2026-02-10T11:42:14,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A 2026-02-10T11:42:14,183 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 2026-02-10T11:42:14,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B 2026-02-10T11:42:14,187 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 2026-02-10T11:42:14,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27 2026-02-10T11:42:14,190 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 2026-02-10T11:42:14,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A 2026-02-10T11:42:14,193 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 2026-02-10T11:42:14,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10 2026-02-10T11:42:14,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:14,199 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 2026-02-10T11:42:14,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:14,202 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 2026-02-10T11:42:14,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:14,206 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 2026-02-10T11:42:14,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:14,210 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 2026-02-10T11:42:14,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:14,214 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 2026-02-10T11:42:14,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:14,218 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 2026-02-10T11:42:14,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:14,222 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 2026-02-10T11:42:14,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:14,225 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 2026-02-10T11:42:14,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:14,230 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 2026-02-10T11:42:14,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:14,233 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 2026-02-10T11:42:14,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:14,236 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 2026-02-10T11:42:14,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:14,240 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 2026-02-10T11:42:14,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:14,243 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 2026-02-10T11:42:14,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:14,247 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 2026-02-10T11:42:14,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:14,250 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 2026-02-10T11:42:14,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:14,254 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 2026-02-10T11:42:14,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:14,258 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 2026-02-10T11:42:14,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:14,262 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 2026-02-10T11:42:14,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:14,265 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 2026-02-10T11:42:14,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:14,268 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 2026-02-10T11:42:14,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22 2026-02-10T11:42:14,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a 2026-02-10T11:42:14,275 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 2026-02-10T11:42:14,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a 2026-02-10T11:42:14,279 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 2026-02-10T11:42:14,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b 2026-02-10T11:42:14,283 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 2026-02-10T11:42:14,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b 2026-02-10T11:42:14,287 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 2026-02-10T11:42:14,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19 2026-02-10T11:42:14,290 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 2026-02-10T11:42:14,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a 2026-02-10T11:42:14,294 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 2026-02-10T11:42:14,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16 2026-02-10T11:42:14,298 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 2026-02-10T11:42:14,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b 2026-02-10T11:42:14,303 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 2026-02-10T11:42:14,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a 2026-02-10T11:42:14,308 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 2026-02-10T11:42:14,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a 2026-02-10T11:42:14,312 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 2026-02-10T11:42:14,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22 2026-02-10T11:42:14,315 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 2026-02-10T11:42:14,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a 2026-02-10T11:42:14,318 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 2026-02-10T11:42:14,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b 2026-02-10T11:42:14,322 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 2026-02-10T11:42:14,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b 2026-02-10T11:42:14,327 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 2026-02-10T11:42:14,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12 2026-02-10T11:42:14,330 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 2026-02-10T11:42:14,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a 2026-02-10T11:42:14,334 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 2026-02-10T11:42:14,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b 2026-02-10T11:42:14,338 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 2026-02-10T11:42:14,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20 2026-02-10T11:42:14,342 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 2026-02-10T11:42:14,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a 2026-02-10T11:42:14,346 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 2026-02-10T11:42:14,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04 2026-02-10T11:42:14,351 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 2026-02-10T11:42:14,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a 2026-02-10T11:42:14,354 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 2026-02-10T11:42:14,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a 2026-02-10T11:42:14,358 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 2026-02-10T11:42:14,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09 2026-02-10T11:42:14,362 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 2026-02-10T11:42:14,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a 2026-02-10T11:42:14,367 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 2026-02-10T11:42:14,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06 2026-02-10T11:42:14,370 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 2026-02-10T11:42:14,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a 2026-02-10T11:42:14,375 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 2026-02-10T11:42:14,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14 2026-02-10T11:42:14,380 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 2026-02-10T11:42:14,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b 2026-02-10T11:42:14,384 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 2026-02-10T11:42:14,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b 2026-02-10T11:42:14,387 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 2026-02-10T11:42:14,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03 2026-02-10T11:42:14,391 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 2026-02-10T11:42:14,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a 2026-02-10T11:42:14,394 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 2026-02-10T11:42:14,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a 2026-02-10T11:42:14,398 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 2026-02-10T11:42:14,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a 2026-02-10T11:42:14,402 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 2026-02-10T11:42:14,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21 2026-02-10T11:42:14,406 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 2026-02-10T11:42:14,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b 2026-02-10T11:42:14,410 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 2026-02-10T11:42:14,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01 2026-02-10T11:42:14,414 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 2026-02-10T11:42:14,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08 2026-02-10T11:42:14,418 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 2026-02-10T11:42:14,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b 2026-02-10T11:42:14,422 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 2026-02-10T11:42:14,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11 2026-02-10T11:42:14,425 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 2026-02-10T11:42:14,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a 2026-02-10T11:42:14,429 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 2026-02-10T11:42:14,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b 2026-02-10T11:42:14,432 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 2026-02-10T11:42:14,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a 2026-02-10T11:42:14,436 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 2026-02-10T11:42:14,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07 2026-02-10T11:42:14,439 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 2026-02-10T11:42:14,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a 2026-02-10T11:42:14,443 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 2026-02-10T11:42:14,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18 2026-02-10T11:42:14,447 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 2026-02-10T11:42:14,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17 2026-02-10T11:42:14,451 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 2026-02-10T11:42:14,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b 2026-02-10T11:42:14,455 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 2026-02-10T11:42:14,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a 2026-02-10T11:42:14,458 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 2026-02-10T11:42:14,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10 2026-02-10T11:42:14,462 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 2026-02-10T11:42:14,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05 2026-02-10T11:42:14,466 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 2026-02-10T11:42:14,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a 2026-02-10T11:42:14,470 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 2026-02-10T11:42:14,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a 2026-02-10T11:42:14,474 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 2026-02-10T11:42:14,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02 2026-02-10T11:42:14,477 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 2026-02-10T11:42:14,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13 2026-02-10T11:42:14,481 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 2026-02-10T11:42:14,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15 2026-02-10T11:42:14,485 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 2026-02-10T11:42:14,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b 2026-02-10T11:42:14,489 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 2026-02-10T11:42:14,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a 2026-02-10T11:42:14,493 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 2026-02-10T11:42:14,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL 2026-02-10T11:42:14,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:14,501 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 2026-02-10T11:42:14,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:14,504 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 2026-02-10T11:42:14,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:14,508 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 2026-02-10T11:42:14,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:14,512 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 2026-02-10T11:42:14,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:14,516 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 2026-02-10T11:42:14,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:14,524 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 2026-02-10T11:42:14,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:14,528 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 2026-02-10T11:42:14,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:14,532 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 2026-02-10T11:42:14,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:14,536 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 2026-02-10T11:42:14,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:14,540 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 2026-02-10T11:42:14,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:14,544 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 2026-02-10T11:42:14,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:14,548 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 2026-02-10T11:42:14,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:14,552 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 2026-02-10T11:42:14,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:14,556 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 2026-02-10T11:42:14,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:14,559 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 2026-02-10T11:42:14,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:14,563 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 2026-02-10T11:42:14,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:14,566 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 2026-02-10T11:42:14,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:14,569 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 2026-02-10T11:42:14,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:14,573 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 2026-02-10T11:42:14,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:14,576 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 2026-02-10T11:42:14,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:14,579 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 2026-02-10T11:42:14,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:14,583 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 2026-02-10T11:42:14,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:14,587 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 2026-02-10T11:42:14,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:14,591 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 2026-02-10T11:42:14,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:14,595 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 2026-02-10T11:42:14,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:14,599 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 2026-02-10T11:42:14,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:14,603 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 2026-02-10T11:42:14,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:14,607 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 2026-02-10T11:42:14,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:14,611 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 2026-02-10T11:42:14,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:14,615 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 2026-02-10T11:42:14,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:14,618 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 2026-02-10T11:42:14,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:14,621 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 2026-02-10T11:42:14,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:14,625 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 2026-02-10T11:42:14,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:14,629 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 2026-02-10T11:42:14,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:14,633 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 2026-02-10T11:42:14,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:14,636 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 2026-02-10T11:42:14,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:14,640 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 2026-02-10T11:42:14,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:14,644 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 2026-02-10T11:42:14,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:14,648 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 2026-02-10T11:42:14,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:14,652 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 2026-02-10T11:42:14,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:14,656 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 2026-02-10T11:42:14,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:14,661 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 2026-02-10T11:42:14,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:14,665 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 2026-02-10T11:42:14,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:14,669 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 2026-02-10T11:42:14,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:14,672 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 2026-02-10T11:42:14,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:14,676 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 2026-02-10T11:42:14,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:14,681 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 2026-02-10T11:42:14,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:14,686 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 2026-02-10T11:42:14,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:14,690 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 2026-02-10T11:42:14,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:14,694 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 2026-02-10T11:42:14,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:14,697 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 2026-02-10T11:42:14,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:14,702 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 2026-02-10T11:42:14,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:14,706 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 2026-02-10T11:42:14,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:14,711 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 2026-02-10T11:42:14,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:14,714 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 2026-02-10T11:42:14,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:14,719 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 2026-02-10T11:42:14,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:14,722 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 2026-02-10T11:42:14,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:14,726 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 2026-02-10T11:42:14,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:14,730 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 2026-02-10T11:42:14,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:14,734 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 2026-02-10T11:42:14,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:14,738 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 2026-02-10T11:42:14,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:14,742 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 2026-02-10T11:42:14,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:14,746 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 2026-02-10T11:42:14,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:14,751 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 2026-02-10T11:42:14,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:14,755 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 2026-02-10T11:42:14,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP 2026-02-10T11:42:14,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f 2026-02-10T11:42:14,762 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 2026-02-10T11:42:14,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1 2026-02-10T11:42:14,766 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 2026-02-10T11:42:14,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l 2026-02-10T11:42:14,769 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 2026-02-10T11:42:14,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l 2026-02-10T11:42:14,773 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 2026-02-10T11:42:14,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22 2026-02-10T11:42:14,777 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 2026-02-10T11:42:14,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:14,780 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 2026-02-10T11:42:14,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f 2026-02-10T11:42:14,784 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 2026-02-10T11:42:14,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:14,787 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 2026-02-10T11:42:14,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2 2026-02-10T11:42:14,791 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 2026-02-10T11:42:14,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:14,796 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 2026-02-10T11:42:14,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:14,800 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 2026-02-10T11:42:14,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant 2026-02-10T11:42:14,803 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 2026-02-10T11:42:14,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2 2026-02-10T11:42:14,807 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 2026-02-10T11:42:14,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28 2026-02-10T11:42:14,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:14,812 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 2026-02-10T11:42:14,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:14,817 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 2026-02-10T11:42:14,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:14,820 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 2026-02-10T11:42:14,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:14,824 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 2026-02-10T11:42:14,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:14,827 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 2026-02-10T11:42:14,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:14,832 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 2026-02-10T11:42:14,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:14,836 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 2026-02-10T11:42:14,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:14,840 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 2026-02-10T11:42:14,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:14,845 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 2026-02-10T11:42:14,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:14,850 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 2026-02-10T11:42:14,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:14,853 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 2026-02-10T11:42:14,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:14,857 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 2026-02-10T11:42:14,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:14,861 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 2026-02-10T11:42:14,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:14,865 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 2026-02-10T11:42:14,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:14,870 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 2026-02-10T11:42:14,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:14,874 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 2026-02-10T11:42:14,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:14,878 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 2026-02-10T11:42:14,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:14,882 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 2026-02-10T11:42:14,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:14,885 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 2026-02-10T11:42:14,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:14,889 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 2026-02-10T11:42:14,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:14,892 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 2026-02-10T11:42:14,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:14,896 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 2026-02-10T11:42:14,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:14,900 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 2026-02-10T11:42:14,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:14,905 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 2026-02-10T11:42:14,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:14,908 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 2026-02-10T11:42:14,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:14,912 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 2026-02-10T11:42:14,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:14,918 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 2026-02-10T11:42:14,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:14,922 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 2026-02-10T11:42:14,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:14,926 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 2026-02-10T11:42:14,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:14,930 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 2026-02-10T11:42:14,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:14,935 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 2026-02-10T11:42:14,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:14,939 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 2026-02-10T11:42:14,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:14,943 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 2026-02-10T11:42:14,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:14,947 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 2026-02-10T11:42:14,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:14,950 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 2026-02-10T11:42:14,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:14,954 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 2026-02-10T11:42:14,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:14,959 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 2026-02-10T11:42:14,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:14,963 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 2026-02-10T11:42:14,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP 2026-02-10T11:42:14,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8 2026-02-10T11:42:14,971 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 2026-02-10T11:42:14,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30 2026-02-10T11:42:14,975 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 2026-02-10T11:42:14,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:14,979 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 2026-02-10T11:42:14,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43 2026-02-10T11:42:14,983 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 2026-02-10T11:42:14,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c 2026-02-10T11:42:14,987 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 2026-02-10T11:42:14,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na 2026-02-10T11:42:14,990 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 2026-02-10T11:42:14,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19 2026-02-10T11:42:14,994 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 2026-02-10T11:42:14,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:14,997 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 2026-02-10T11:42:14,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:15,000 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 2026-02-10T11:42:15,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:15,005 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 2026-02-10T11:42:15,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl 2026-02-10T11:42:15,009 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 2026-02-10T11:42:15,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:15,014 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 2026-02-10T11:42:15,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o 2026-02-10T11:42:15,017 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 2026-02-10T11:42:15,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45 2026-02-10T11:42:15,020 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 2026-02-10T11:42:15,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22 2026-02-10T11:42:15,024 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 2026-02-10T11:42:15,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25 2026-02-10T11:42:15,028 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 2026-02-10T11:42:15,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12 2026-02-10T11:42:15,033 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 2026-02-10T11:42:15,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48 2026-02-10T11:42:15,037 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 2026-02-10T11:42:15,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20 2026-02-10T11:42:15,040 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 2026-02-10T11:42:15,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al 2026-02-10T11:42:15,044 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 2026-02-10T11:42:15,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:15,049 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 2026-02-10T11:42:15,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s 2026-02-10T11:42:15,054 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 2026-02-10T11:42:15,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:15,058 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 2026-02-10T11:42:15,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li 2026-02-10T11:42:15,062 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 2026-02-10T11:42:15,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+ 2026-02-10T11:42:15,067 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+ 2026-02-10T11:42:15,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+ 2026-02-10T11:42:15,071 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+ 2026-02-10T11:42:15,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n 2026-02-10T11:42:15,075 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 2026-02-10T11:42:15,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+ 2026-02-10T11:42:15,079 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+ 2026-02-10T11:42:15,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:15,084 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 2026-02-10T11:42:15,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:15,089 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 2026-02-10T11:42:15,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg 2026-02-10T11:42:15,093 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 2026-02-10T11:42:15,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:15,098 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 2026-02-10T11:42:15,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:15,102 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 2026-02-10T11:42:15,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:15,106 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 2026-02-10T11:42:15,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:15,109 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+ 2026-02-10T11:42:15,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p 2026-02-10T11:42:15,113 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 2026-02-10T11:42:15,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14 2026-02-10T11:42:15,116 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 2026-02-10T11:42:15,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:15,120 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 2026-02-10T11:42:15,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51 2026-02-10T11:42:15,124 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 2026-02-10T11:42:15,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44 2026-02-10T11:42:15,129 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 2026-02-10T11:42:15,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b 2026-02-10T11:42:15,132 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 2026-02-10T11:42:15,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+ 2026-02-10T11:42:15,136 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+ 2026-02-10T11:42:15,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:15,140 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 2026-02-10T11:42:15,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:15,143 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 2026-02-10T11:42:15,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+ 2026-02-10T11:42:15,146 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+ 2026-02-10T11:42:15,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+ 2026-02-10T11:42:15,150 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+ 2026-02-10T11:42:15,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:15,153 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 2026-02-10T11:42:15,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37 2026-02-10T11:42:15,156 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 2026-02-10T11:42:15,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11 2026-02-10T11:42:15,160 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 2026-02-10T11:42:15,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:15,163 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+ 2026-02-10T11:42:15,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137 2026-02-10T11:42:15,167 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 2026-02-10T11:42:15,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18 2026-02-10T11:42:15,170 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 2026-02-10T11:42:15,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f 2026-02-10T11:42:15,174 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 2026-02-10T11:42:15,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26 2026-02-10T11:42:15,177 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 2026-02-10T11:42:15,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+ 2026-02-10T11:42:15,180 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+ 2026-02-10T11:42:15,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:15,184 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 2026-02-10T11:42:15,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:15,188 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 2026-02-10T11:42:15,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:15,191 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 2026-02-10T11:42:15,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+ 2026-02-10T11:42:15,195 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+ 2026-02-10T11:42:15,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13 2026-02-10T11:42:15,199 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 2026-02-10T11:42:15,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+ 2026-02-10T11:42:15,202 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+ 2026-02-10T11:42:15,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34 2026-02-10T11:42:15,206 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 2026-02-10T11:42:15,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+ 2026-02-10T11:42:15,211 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+ 2026-02-10T11:42:15,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+ 2026-02-10T11:42:15,215 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+ 2026-02-10T11:42:15,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be 2026-02-10T11:42:15,220 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 2026-02-10T11:42:15,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si 2026-02-10T11:42:15,224 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 2026-02-10T11:42:15,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:15,227 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 2026-02-10T11:42:15,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:15,231 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 2026-02-10T11:42:15,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:15,234 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 2026-02-10T11:42:15,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h 2026-02-10T11:42:15,238 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 2026-02-10T11:42:15,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+ 2026-02-10T11:42:15,242 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+ 2026-02-10T11:42:15,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13 2026-02-10T11:42:15,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:15,247 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 2026-02-10T11:42:15,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6 2026-02-10T11:42:15,251 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 2026-02-10T11:42:15,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:15,254 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 2026-02-10T11:42:15,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:15,258 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 2026-02-10T11:42:15,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf 2026-02-10T11:42:15,262 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 2026-02-10T11:42:15,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:15,266 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 2026-02-10T11:42:15,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3 2026-02-10T11:42:15,270 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 2026-02-10T11:42:15,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:42:15,274 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 2026-02-10T11:42:15,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:42:15,278 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 2026-02-10T11:42:15,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:42:15,282 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 2026-02-10T11:42:15,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:42:15,286 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 2026-02-10T11:42:15,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:42:15,289 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 2026-02-10T11:42:15,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:42:15,293 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 2026-02-10T11:42:15,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:42:15,296 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 2026-02-10T11:42:15,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4 2026-02-10T11:42:15,299 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 2026-02-10T11:42:15,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3 2026-02-10T11:42:15,303 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 2026-02-10T11:42:15,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:42:15,307 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 2026-02-10T11:42:15,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:15,311 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 2026-02-10T11:42:15,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2 2026-02-10T11:42:15,316 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 2026-02-10T11:42:15,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:42:15,319 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 2026-02-10T11:42:15,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:42:15,323 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 2026-02-10T11:42:15,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:15,327 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 2026-02-10T11:42:15,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:42:15,331 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 2026-02-10T11:42:15,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5 2026-02-10T11:42:15,336 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 2026-02-10T11:42:15,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:42:15,339 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 2026-02-10T11:42:15,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o 2026-02-10T11:42:15,343 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 2026-02-10T11:42:15,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:15,347 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 2026-02-10T11:42:15,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:42:15,350 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 2026-02-10T11:42:15,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:15,354 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 2026-02-10T11:42:15,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4 2026-02-10T11:42:15,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:15,360 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 2026-02-10T11:42:15,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:15,364 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 2026-02-10T11:42:15,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:15,369 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 2026-02-10T11:42:15,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:15,372 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 2026-02-10T11:42:15,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:15,376 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 2026-02-10T11:42:15,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:15,380 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 2026-02-10T11:42:15,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:15,383 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 2026-02-10T11:42:15,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:15,386 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 2026-02-10T11:42:15,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:15,391 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 2026-02-10T11:42:15,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:15,396 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 2026-02-10T11:42:15,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:15,400 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 2026-02-10T11:42:15,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:15,404 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 2026-02-10T11:42:15,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:15,408 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 2026-02-10T11:42:15,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:15,413 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 2026-02-10T11:42:15,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:15,416 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 2026-02-10T11:42:15,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:15,421 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 2026-02-10T11:42:15,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:15,425 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 2026-02-10T11:42:15,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:15,430 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 2026-02-10T11:42:15,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:15,434 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 2026-02-10T11:42:15,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:15,438 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 2026-02-10T11:42:15,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:15,441 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 2026-02-10T11:42:15,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:15,445 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 2026-02-10T11:42:15,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:15,448 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 2026-02-10T11:42:15,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:15,452 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 2026-02-10T11:42:15,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:15,456 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 2026-02-10T11:42:15,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:15,460 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 2026-02-10T11:42:15,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:15,464 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 2026-02-10T11:42:15,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:15,468 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 2026-02-10T11:42:15,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:15,473 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 2026-02-10T11:42:15,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:15,476 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 2026-02-10T11:42:15,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:15,481 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 2026-02-10T11:42:15,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:15,484 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 2026-02-10T11:42:15,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:15,488 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 2026-02-10T11:42:15,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:15,492 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 2026-02-10T11:42:15,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:15,496 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 2026-02-10T11:42:15,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:15,499 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 2026-02-10T11:42:15,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:15,503 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 2026-02-10T11:42:15,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:15,507 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 2026-02-10T11:42:15,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:15,511 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 2026-02-10T11:42:15,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:15,514 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 2026-02-10T11:42:15,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:15,519 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 2026-02-10T11:42:15,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:15,523 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 2026-02-10T11:42:15,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:15,527 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 2026-02-10T11:42:15,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:15,531 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 2026-02-10T11:42:15,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:15,536 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 2026-02-10T11:42:15,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:15,539 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 2026-02-10T11:42:15,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:15,543 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 2026-02-10T11:42:15,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:15,548 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 2026-02-10T11:42:15,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:15,552 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 2026-02-10T11:42:15,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:15,556 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 2026-02-10T11:42:15,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:15,560 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 2026-02-10T11:42:15,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:15,565 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 2026-02-10T11:42:15,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:15,569 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 2026-02-10T11:42:15,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:15,574 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 2026-02-10T11:42:15,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:15,577 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 2026-02-10T11:42:15,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:15,581 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 2026-02-10T11:42:15,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:15,585 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 2026-02-10T11:42:15,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:15,589 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 2026-02-10T11:42:15,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:15,593 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 2026-02-10T11:42:15,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:15,597 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 2026-02-10T11:42:15,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:15,600 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 2026-02-10T11:42:15,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:15,604 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 2026-02-10T11:42:15,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:15,608 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 2026-02-10T11:42:15,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:15,612 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 2026-02-10T11:42:15,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:15,616 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 2026-02-10T11:42:15,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:15,620 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 2026-02-10T11:42:15,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:15,623 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 2026-02-10T11:42:15,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:15,626 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 2026-02-10T11:42:15,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:15,630 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 2026-02-10T11:42:15,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:15,634 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 2026-02-10T11:42:15,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:15,638 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 2026-02-10T11:42:15,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:15,643 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 2026-02-10T11:42:15,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:15,647 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 2026-02-10T11:42:15,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:15,652 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 2026-02-10T11:42:15,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:15,656 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 2026-02-10T11:42:15,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:15,661 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 2026-02-10T11:42:15,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:15,667 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 2026-02-10T11:42:15,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:15,671 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 2026-02-10T11:42:15,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:15,676 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 2026-02-10T11:42:15,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:15,681 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 2026-02-10T11:42:15,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:15,686 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 2026-02-10T11:42:15,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:15,690 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 2026-02-10T11:42:15,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:15,695 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 2026-02-10T11:42:15,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:15,700 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 2026-02-10T11:42:15,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:15,704 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 2026-02-10T11:42:15,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:15,709 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 2026-02-10T11:42:15,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:15,713 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 2026-02-10T11:42:15,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:15,718 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 2026-02-10T11:42:15,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:15,723 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 2026-02-10T11:42:15,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:15,728 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 2026-02-10T11:42:15,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:15,732 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 2026-02-10T11:42:15,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:15,737 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 2026-02-10T11:42:15,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:15,742 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 2026-02-10T11:42:15,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:15,747 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 2026-02-10T11:42:15,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:15,752 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 2026-02-10T11:42:15,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:15,756 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 2026-02-10T11:42:15,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:15,761 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 2026-02-10T11:42:15,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:15,766 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 2026-02-10T11:42:15,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:15,771 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 2026-02-10T11:42:15,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:15,775 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 2026-02-10T11:42:15,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24 2026-02-10T11:42:15,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:15,783 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 2026-02-10T11:42:15,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:15,787 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 2026-02-10T11:42:15,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:15,792 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 2026-02-10T11:42:15,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:15,797 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 2026-02-10T11:42:15,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:15,801 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 2026-02-10T11:42:15,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:15,806 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 2026-02-10T11:42:15,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:15,811 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 2026-02-10T11:42:15,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:15,815 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 2026-02-10T11:42:15,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:15,820 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 2026-02-10T11:42:15,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:15,824 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 2026-02-10T11:42:15,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:15,829 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 2026-02-10T11:42:15,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:15,833 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 2026-02-10T11:42:15,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:15,838 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 2026-02-10T11:42:15,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:15,843 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 2026-02-10T11:42:15,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:15,847 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 2026-02-10T11:42:15,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:15,852 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 2026-02-10T11:42:15,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:15,855 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 2026-02-10T11:42:15,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:15,859 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 2026-02-10T11:42:15,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:15,863 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 2026-02-10T11:42:15,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:42:15,867 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 2026-02-10T11:42:15,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:15,870 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 2026-02-10T11:42:15,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether 2026-02-10T11:42:15,874 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 2026-02-10T11:42:15,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:15,879 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 2026-02-10T11:42:15,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:15,883 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 2026-02-10T11:42:15,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S 2026-02-10T11:42:15,888 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 2026-02-10T11:42:15,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3 2026-02-10T11:42:15,892 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 2026-02-10T11:42:15,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:15,898 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 2026-02-10T11:42:15,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:15,902 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 2026-02-10T11:42:15,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:15,906 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 2026-02-10T11:42:15,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3 2026-02-10T11:42:15,910 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 2026-02-10T11:42:15,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:15,914 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 2026-02-10T11:42:15,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:15,918 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 2026-02-10T11:42:15,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:15,921 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 2026-02-10T11:42:15,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:15,926 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 2026-02-10T11:42:15,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:15,929 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 2026-02-10T11:42:15,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3 2026-02-10T11:42:15,932 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 2026-02-10T11:42:15,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:15,937 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 2026-02-10T11:42:15,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:15,941 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 2026-02-10T11:42:15,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O 2026-02-10T11:42:15,945 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 2026-02-10T11:42:15,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3 2026-02-10T11:42:15,950 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 2026-02-10T11:42:15,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2 2026-02-10T11:42:15,954 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 2026-02-10T11:42:15,957 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:42:15,958 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 2026-02-10T11:42:15,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3 2026-02-10T11:42:15,962 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 2026-02-10T11:42:15,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:15,966 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 2026-02-10T11:42:15,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:15,970 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 2026-02-10T11:42:15,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:15,974 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 2026-02-10T11:42:15,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether 2026-02-10T11:42:15,978 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 2026-02-10T11:42:15,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:15,983 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 2026-02-10T11:42:15,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF 2026-02-10T11:42:15,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10 2026-02-10T11:42:15,988 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 2026-02-10T11:42:15,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2 2026-02-10T11:42:15,993 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 2026-02-10T11:42:15,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4 2026-02-10T11:42:15,997 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 2026-02-10T11:42:15,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4 2026-02-10T11:42:16,000 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 2026-02-10T11:42:16,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3 2026-02-10T11:42:16,003 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 2026-02-10T11:42:16,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5 2026-02-10T11:42:16,007 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 2026-02-10T11:42:16,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13 2026-02-10T11:42:16,010 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 2026-02-10T11:42:16,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15 2026-02-10T11:42:16,014 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 2026-02-10T11:42:16,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11 2026-02-10T11:42:16,018 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 2026-02-10T11:42:16,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14 2026-02-10T11:42:16,022 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 2026-02-10T11:42:16,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2 2026-02-10T11:42:16,026 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 2026-02-10T11:42:16,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3 2026-02-10T11:42:16,030 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 2026-02-10T11:42:16,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9 2026-02-10T11:42:16,033 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 2026-02-10T11:42:16,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6 2026-02-10T11:42:16,037 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 2026-02-10T11:42:16,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12 2026-02-10T11:42:16,041 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 2026-02-10T11:42:16,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1 2026-02-10T11:42:16,045 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 2026-02-10T11:42:16,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7 2026-02-10T11:42:16,049 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 2026-02-10T11:42:16,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8 2026-02-10T11:42:16,053 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 2026-02-10T11:42:16,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1 2026-02-10T11:42:16,057 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 2026-02-10T11:42:16,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11 2026-02-10T11:42:16,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of 2026-02-10T11:42:16,065 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 2026-02-10T11:42:16,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2 2026-02-10T11:42:16,069 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 2026-02-10T11:42:16,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co 2026-02-10T11:42:16,072 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 2026-02-10T11:42:16,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c 2026-02-10T11:42:16,075 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 2026-02-10T11:42:16,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:16,079 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 2026-02-10T11:42:16,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn 2026-02-10T11:42:16,082 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 2026-02-10T11:42:16,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so 2026-02-10T11:42:16,085 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 2026-02-10T11:42:16,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:16,089 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 2026-02-10T11:42:16,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno 2026-02-10T11:42:16,092 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 2026-02-10T11:42:16,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h 2026-02-10T11:42:16,095 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 2026-02-10T11:42:16,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch 2026-02-10T11:42:16,099 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 2026-02-10T11:42:16,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane 2026-02-10T11:42:16,102 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 2026-02-10T11:42:16,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo 2026-02-10T11:42:16,106 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 2026-02-10T11:42:16,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:16,110 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 2026-02-10T11:42:16,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:16,113 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 2026-02-10T11:42:16,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2 2026-02-10T11:42:16,118 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 2026-02-10T11:42:16,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:16,124 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 2026-02-10T11:42:16,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:16,128 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 2026-02-10T11:42:16,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs 2026-02-10T11:42:16,131 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 2026-02-10T11:42:16,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic 2026-02-10T11:42:16,134 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 2026-02-10T11:42:16,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf 2026-02-10T11:42:16,138 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 2026-02-10T11:42:16,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3 2026-02-10T11:42:16,142 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 2026-02-10T11:42:16,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc 2026-02-10T11:42:16,147 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 2026-02-10T11:42:16,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo 2026-02-10T11:42:16,151 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 2026-02-10T11:42:16,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:16,154 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 2026-02-10T11:42:16,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl 2026-02-10T11:42:16,158 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 2026-02-10T11:42:16,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:16,163 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 2026-02-10T11:42:16,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2 2026-02-10T11:42:16,168 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 2026-02-10T11:42:16,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:16,171 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 2026-02-10T11:42:16,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o 2026-02-10T11:42:16,176 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 2026-02-10T11:42:16,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3 2026-02-10T11:42:16,180 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 2026-02-10T11:42:16,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:42:16,184 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 2026-02-10T11:42:16,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs 2026-02-10T11:42:16,188 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 2026-02-10T11:42:16,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4 2026-02-10T11:42:16,192 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 2026-02-10T11:42:16,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:16,196 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 2026-02-10T11:42:16,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco 2026-02-10T11:42:16,200 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 2026-02-10T11:42:16,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc 2026-02-10T11:42:16,204 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 2026-02-10T11:42:16,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3 2026-02-10T11:42:16,208 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 2026-02-10T11:42:16,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene 2026-02-10T11:42:16,212 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 2026-02-10T11:42:16,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o 2026-02-10T11:42:16,216 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 2026-02-10T11:42:16,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne 2026-02-10T11:42:16,220 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 2026-02-10T11:42:16,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene 2026-02-10T11:42:16,224 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 2026-02-10T11:42:16,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:16,229 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 2026-02-10T11:42:16,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:16,233 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 2026-02-10T11:42:16,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co 2026-02-10T11:42:16,237 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 2026-02-10T11:42:16,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3 2026-02-10T11:42:16,242 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 2026-02-10T11:42:16,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs 2026-02-10T11:42:16,246 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 2026-02-10T11:42:16,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof 2026-02-10T11:42:16,250 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 2026-02-10T11:42:16,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co 2026-02-10T11:42:16,254 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 2026-02-10T11:42:16,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:16,258 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 2026-02-10T11:42:16,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2 2026-02-10T11:42:16,263 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 2026-02-10T11:42:16,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2 2026-02-10T11:42:16,267 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 2026-02-10T11:42:16,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene 2026-02-10T11:42:16,270 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 2026-02-10T11:42:16,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4 2026-02-10T11:42:16,274 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 2026-02-10T11:42:16,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf 2026-02-10T11:42:16,277 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 2026-02-10T11:42:16,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al 2026-02-10T11:42:16,281 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 2026-02-10T11:42:16,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s 2026-02-10T11:42:16,284 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 2026-02-10T11:42:16,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf 2026-02-10T11:42:16,288 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 2026-02-10T11:42:16,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2 2026-02-10T11:42:16,292 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 2026-02-10T11:42:16,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:42:16,295 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 2026-02-10T11:42:16,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:16,300 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 2026-02-10T11:42:16,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2 2026-02-10T11:42:16,304 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 2026-02-10T11:42:16,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2 2026-02-10T11:42:16,308 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 2026-02-10T11:42:16,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n 2026-02-10T11:42:16,311 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 2026-02-10T11:42:16,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2 2026-02-10T11:42:16,316 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 2026-02-10T11:42:16,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:16,320 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 2026-02-10T11:42:16,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2 2026-02-10T11:42:16,325 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 2026-02-10T11:42:16,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2 2026-02-10T11:42:16,329 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 2026-02-10T11:42:16,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:16,333 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 2026-02-10T11:42:16,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2 2026-02-10T11:42:16,337 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 2026-02-10T11:42:16,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch 2026-02-10T11:42:16,342 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 2026-02-10T11:42:16,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:16,346 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 2026-02-10T11:42:16,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4 2026-02-10T11:42:16,351 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 2026-02-10T11:42:16,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno 2026-02-10T11:42:16,355 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 2026-02-10T11:42:16,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:16,360 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 2026-02-10T11:42:16,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:16,364 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 2026-02-10T11:42:16,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof 2026-02-10T11:42:16,369 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 2026-02-10T11:42:16,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:42:16,373 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 2026-02-10T11:42:16,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh 2026-02-10T11:42:16,378 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 2026-02-10T11:42:16,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p 2026-02-10T11:42:16,382 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 2026-02-10T11:42:16,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2026-02-10T11:42:16,387 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3 2026-02-10T11:42:16,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn 2026-02-10T11:42:16,391 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 2026-02-10T11:42:16,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf 2026-02-10T11:42:16,396 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 2026-02-10T11:42:16,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo 2026-02-10T11:42:16,401 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 2026-02-10T11:42:16,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:16,405 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 2026-02-10T11:42:16,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:16,409 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 2026-02-10T11:42:16,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b 2026-02-10T11:42:16,412 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 2026-02-10T11:42:16,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3 2026-02-10T11:42:16,415 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 2026-02-10T11:42:16,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono 2026-02-10T11:42:16,422 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 2026-02-10T11:42:16,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco 2026-02-10T11:42:16,426 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 2026-02-10T11:42:16,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic 2026-02-10T11:42:16,430 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 2026-02-10T11:42:16,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3 2026-02-10T11:42:16,435 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 2026-02-10T11:42:16,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:16,439 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 2026-02-10T11:42:16,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn 2026-02-10T11:42:16,444 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 2026-02-10T11:42:16,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof 2026-02-10T11:42:16,449 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 2026-02-10T11:42:16,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh 2026-02-10T11:42:16,454 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 2026-02-10T11:42:16,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn 2026-02-10T11:42:16,458 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 2026-02-10T11:42:16,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf 2026-02-10T11:42:16,462 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 2026-02-10T11:42:16,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4 2026-02-10T11:42:16,466 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 2026-02-10T11:42:16,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2 2026-02-10T11:42:16,470 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 2026-02-10T11:42:16,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:16,475 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 2026-02-10T11:42:16,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2 2026-02-10T11:42:16,479 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 2026-02-10T11:42:16,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono 2026-02-10T11:42:16,484 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 2026-02-10T11:42:16,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif 2026-02-10T11:42:16,488 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 2026-02-10T11:42:16,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol 2026-02-10T11:42:16,492 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 2026-02-10T11:42:16,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s 2026-02-10T11:42:16,496 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 2026-02-10T11:42:16,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2 2026-02-10T11:42:16,500 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 2026-02-10T11:42:16,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf 2026-02-10T11:42:16,505 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 2026-02-10T11:42:16,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl 2026-02-10T11:42:16,509 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 2026-02-10T11:42:16,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:16,513 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 2026-02-10T11:42:16,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio 2026-02-10T11:42:16,519 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 2026-02-10T11:42:16,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3 2026-02-10T11:42:16,524 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 2026-02-10T11:42:16,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn 2026-02-10T11:42:16,529 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 2026-02-10T11:42:16,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl 2026-02-10T11:42:16,534 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 2026-02-10T11:42:16,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo 2026-02-10T11:42:16,539 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 2026-02-10T11:42:16,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o 2026-02-10T11:42:16,543 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 2026-02-10T11:42:16,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f 2026-02-10T11:42:16,546 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 2026-02-10T11:42:16,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:16,550 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 2026-02-10T11:42:16,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:16,555 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 2026-02-10T11:42:16,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:16,559 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 2026-02-10T11:42:16,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:16,563 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 2026-02-10T11:42:16,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4 2026-02-10T11:42:16,567 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 2026-02-10T11:42:16,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh 2026-02-10T11:42:16,571 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 2026-02-10T11:42:16,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo 2026-02-10T11:42:16,575 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 2026-02-10T11:42:16,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2 2026-02-10T11:42:16,579 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 2026-02-10T11:42:16,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o 2026-02-10T11:42:16,583 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 2026-02-10T11:42:16,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no 2026-02-10T11:42:16,587 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 2026-02-10T11:42:16,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:42:16,591 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 2026-02-10T11:42:16,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o 2026-02-10T11:42:16,595 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 2026-02-10T11:42:16,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3 2026-02-10T11:42:16,599 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 2026-02-10T11:42:16,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh 2026-02-10T11:42:16,602 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 2026-02-10T11:42:16,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:42:16,606 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 2026-02-10T11:42:16,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo 2026-02-10T11:42:16,610 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 2026-02-10T11:42:16,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh 2026-02-10T11:42:16,613 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 2026-02-10T11:42:16,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf 2026-02-10T11:42:16,617 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 2026-02-10T11:42:16,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:42:16,621 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 2026-02-10T11:42:16,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:42:16,625 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 2026-02-10T11:42:16,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2 2026-02-10T11:42:16,629 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 2026-02-10T11:42:16,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3 2026-02-10T11:42:16,633 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 2026-02-10T11:42:16,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:16,637 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 2026-02-10T11:42:16,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:16,642 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 2026-02-10T11:42:16,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be 2026-02-10T11:42:16,646 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 2026-02-10T11:42:16,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:16,650 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 2026-02-10T11:42:16,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si 2026-02-10T11:42:16,653 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 2026-02-10T11:42:16,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl 2026-02-10T11:42:16,656 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 2026-02-10T11:42:16,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:16,661 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 2026-02-10T11:42:16,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2 2026-02-10T11:42:16,665 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 2026-02-10T11:42:16,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2 2026-02-10T11:42:16,668 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 2026-02-10T11:42:16,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn 2026-02-10T11:42:16,672 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 2026-02-10T11:42:16,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih 2026-02-10T11:42:16,677 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 2026-02-10T11:42:16,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h 2026-02-10T11:42:16,681 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 2026-02-10T11:42:16,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh 2026-02-10T11:42:16,686 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 2026-02-10T11:42:16,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27 2026-02-10T11:42:16,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:16,693 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 2026-02-10T11:42:16,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:16,697 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 2026-02-10T11:42:16,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:16,702 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 2026-02-10T11:42:16,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:16,706 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 2026-02-10T11:42:16,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:16,710 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 2026-02-10T11:42:16,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:16,715 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 2026-02-10T11:42:16,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:16,719 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 2026-02-10T11:42:16,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:16,723 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 2026-02-10T11:42:16,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:16,727 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 2026-02-10T11:42:16,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:16,732 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 2026-02-10T11:42:16,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:16,736 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 2026-02-10T11:42:16,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:16,741 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 2026-02-10T11:42:16,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:16,745 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 2026-02-10T11:42:16,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:16,749 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 2026-02-10T11:42:16,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:16,752 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 2026-02-10T11:42:16,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:16,757 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 2026-02-10T11:42:16,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:16,761 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 2026-02-10T11:42:16,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:16,766 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 2026-02-10T11:42:16,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:16,770 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 2026-02-10T11:42:16,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:16,774 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 2026-02-10T11:42:16,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:16,778 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 2026-02-10T11:42:16,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:16,782 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 2026-02-10T11:42:16,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:16,786 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 2026-02-10T11:42:16,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:16,790 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 2026-02-10T11:42:16,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:16,793 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 2026-02-10T11:42:16,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:16,796 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 2026-02-10T11:42:16,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:16,800 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 2026-02-10T11:42:16,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:16,804 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 2026-02-10T11:42:16,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:16,808 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 2026-02-10T11:42:16,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:16,812 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 2026-02-10T11:42:16,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:16,816 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 2026-02-10T11:42:16,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:16,819 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 2026-02-10T11:42:16,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:16,824 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 2026-02-10T11:42:16,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:16,828 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 2026-02-10T11:42:16,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:16,832 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 2026-02-10T11:42:16,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:16,836 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 2026-02-10T11:42:16,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:16,841 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 2026-02-10T11:42:16,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:16,845 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 2026-02-10T11:42:16,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:16,849 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 2026-02-10T11:42:16,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:16,854 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 2026-02-10T11:42:16,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC 2026-02-10T11:42:16,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:16,859 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 2026-02-10T11:42:16,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:16,863 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 2026-02-10T11:42:16,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:16,866 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 2026-02-10T11:42:16,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:16,870 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 2026-02-10T11:42:16,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch 2026-02-10T11:42:16,873 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 2026-02-10T11:42:16,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:16,877 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 2026-02-10T11:42:16,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz 2026-02-10T11:42:16,880 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 2026-02-10T11:42:16,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:16,884 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 2026-02-10T11:42:16,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:16,888 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 2026-02-10T11:42:16,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:16,891 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 2026-02-10T11:42:16,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:16,895 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 2026-02-10T11:42:16,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:16,898 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 2026-02-10T11:42:16,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2 2026-02-10T11:42:16,903 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 2026-02-10T11:42:16,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:16,907 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 2026-02-10T11:42:16,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:16,911 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 2026-02-10T11:42:16,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2 2026-02-10T11:42:16,914 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 2026-02-10T11:42:16,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:16,919 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 2026-02-10T11:42:16,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:16,923 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 2026-02-10T11:42:16,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:16,927 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 2026-02-10T11:42:16,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:16,932 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 2026-02-10T11:42:16,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:16,935 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 2026-02-10T11:42:16,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21 2026-02-10T11:42:16,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4 2026-02-10T11:42:16,941 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 2026-02-10T11:42:16,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2 2026-02-10T11:42:16,945 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 2026-02-10T11:42:16,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6 2026-02-10T11:42:16,949 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 2026-02-10T11:42:16,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e 2026-02-10T11:42:16,953 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 2026-02-10T11:42:16,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me 2026-02-10T11:42:16,957 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 2026-02-10T11:42:16,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5 2026-02-10T11:42:16,961 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 2026-02-10T11:42:16,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2 2026-02-10T11:42:16,965 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 2026-02-10T11:42:16,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1 2026-02-10T11:42:16,970 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 2026-02-10T11:42:16,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2 2026-02-10T11:42:16,974 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 2026-02-10T11:42:16,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3 2026-02-10T11:42:16,979 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 2026-02-10T11:42:16,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1 2026-02-10T11:42:16,982 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 2026-02-10T11:42:16,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e 2026-02-10T11:42:16,986 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 2026-02-10T11:42:16,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr 2026-02-10T11:42:16,990 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 2026-02-10T11:42:16,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3 2026-02-10T11:42:16,994 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 2026-02-10T11:42:16,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1 2026-02-10T11:42:16,998 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 2026-02-10T11:42:17,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p 2026-02-10T11:42:17,001 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 2026-02-10T11:42:17,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3 2026-02-10T11:42:17,005 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 2026-02-10T11:42:17,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e 2026-02-10T11:42:17,009 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 2026-02-10T11:42:17,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e 2026-02-10T11:42:17,013 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 2026-02-10T11:42:17,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1 2026-02-10T11:42:17,016 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 2026-02-10T11:42:17,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene 2026-02-10T11:42:17,020 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 2026-02-10T11:42:17,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1 2026-02-10T11:42:17,024 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 2026-02-10T11:42:17,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1 2026-02-10T11:42:17,028 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 2026-02-10T11:42:17,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2 2026-02-10T11:42:17,032 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 2026-02-10T11:42:17,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3 2026-02-10T11:42:17,036 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 2026-02-10T11:42:17,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int 2026-02-10T11:42:17,040 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 2026-02-10T11:42:17,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1 2026-02-10T11:42:17,044 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 2026-02-10T11:42:17,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e 2026-02-10T11:42:17,047 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 2026-02-10T11:42:17,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2 2026-02-10T11:42:17,051 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 2026-02-10T11:42:17,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2 2026-02-10T11:42:17,054 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 2026-02-10T11:42:17,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1 2026-02-10T11:42:17,058 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 2026-02-10T11:42:17,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e 2026-02-10T11:42:17,062 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 2026-02-10T11:42:17,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3 2026-02-10T11:42:17,066 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 2026-02-10T11:42:17,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1 2026-02-10T11:42:17,070 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 2026-02-10T11:42:17,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2 2026-02-10T11:42:17,074 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 2026-02-10T11:42:17,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p 2026-02-10T11:42:17,079 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 2026-02-10T11:42:17,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e 2026-02-10T11:42:17,083 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 2026-02-10T11:42:17,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e 2026-02-10T11:42:17,087 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 2026-02-10T11:42:17,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e 2026-02-10T11:42:17,090 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 2026-02-10T11:42:17,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3 2026-02-10T11:42:17,094 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 2026-02-10T11:42:17,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e 2026-02-10T11:42:17,098 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 2026-02-10T11:42:17,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15 2026-02-10T11:42:17,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b 2026-02-10T11:42:17,104 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 2026-02-10T11:42:17,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c 2026-02-10T11:42:17,108 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 2026-02-10T11:42:17,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a 2026-02-10T11:42:17,112 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 2026-02-10T11:42:17,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b 2026-02-10T11:42:17,117 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 2026-02-10T11:42:17,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a 2026-02-10T11:42:17,120 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 2026-02-10T11:42:17,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c 2026-02-10T11:42:17,124 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 2026-02-10T11:42:17,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a 2026-02-10T11:42:17,128 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 2026-02-10T11:42:17,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b 2026-02-10T11:42:17,132 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 2026-02-10T11:42:17,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a 2026-02-10T11:42:17,136 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 2026-02-10T11:42:17,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b 2026-02-10T11:42:17,140 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 2026-02-10T11:42:17,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b 2026-02-10T11:42:17,145 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 2026-02-10T11:42:17,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b 2026-02-10T11:42:17,149 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 2026-02-10T11:42:17,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a 2026-02-10T11:42:17,154 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 2026-02-10T11:42:17,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c 2026-02-10T11:42:17,158 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 2026-02-10T11:42:17,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a 2026-02-10T11:42:17,162 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 2026-02-10T11:42:17,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a 2026-02-10T11:42:17,167 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 2026-02-10T11:42:17,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d 2026-02-10T11:42:17,171 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 2026-02-10T11:42:17,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b 2026-02-10T11:42:17,176 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 2026-02-10T11:42:17,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a 2026-02-10T11:42:17,180 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 2026-02-10T11:42:17,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a 2026-02-10T11:42:17,183 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 2026-02-10T11:42:17,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b 2026-02-10T11:42:17,187 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 2026-02-10T11:42:17,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d 2026-02-10T11:42:17,191 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 2026-02-10T11:42:17,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a 2026-02-10T11:42:17,195 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 2026-02-10T11:42:17,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b 2026-02-10T11:42:17,199 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 2026-02-10T11:42:17,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b 2026-02-10T11:42:17,203 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 2026-02-10T11:42:17,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10 2026-02-10T11:42:17,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:17,208 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+ 2026-02-10T11:42:17,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:17,212 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+ 2026-02-10T11:42:17,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:17,215 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+ 2026-02-10T11:42:17,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:17,220 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 2026-02-10T11:42:17,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:17,224 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 2026-02-10T11:42:17,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:17,227 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+ 2026-02-10T11:42:17,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:17,231 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+ 2026-02-10T11:42:17,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:17,234 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+ 2026-02-10T11:42:17,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:17,237 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 2026-02-10T11:42:17,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:17,241 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 2026-02-10T11:42:17,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:17,245 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+ 2026-02-10T11:42:17,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:17,249 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 2026-02-10T11:42:17,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:17,253 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 2026-02-10T11:42:17,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:17,257 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 2026-02-10T11:42:17,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:17,260 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 2026-02-10T11:42:17,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:17,263 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+ 2026-02-10T11:42:17,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:17,267 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+ 2026-02-10T11:42:17,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:17,270 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 2026-02-10T11:42:17,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be 2026-02-10T11:42:17,274 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 2026-02-10T11:42:17,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:17,277 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+ 2026-02-10T11:42:17,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26 2026-02-10T11:42:17,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly 2026-02-10T11:42:17,283 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 2026-02-10T11:42:17,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys 2026-02-10T11:42:17,288 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 2026-02-10T11:42:17,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp 2026-02-10T11:42:17,292 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 2026-02-10T11:42:17,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6 2026-02-10T11:42:17,297 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 2026-02-10T11:42:17,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp 2026-02-10T11:42:17,301 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 2026-02-10T11:42:17,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6 2026-02-10T11:42:17,306 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 2026-02-10T11:42:17,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C 2026-02-10T11:42:17,310 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 2026-02-10T11:42:17,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T 2026-02-10T11:42:17,314 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 2026-02-10T11:42:17,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol 2026-02-10T11:42:17,318 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 2026-02-10T11:42:17,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap 2026-02-10T11:42:17,322 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 2026-02-10T11:42:17,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:17,326 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 2026-02-10T11:42:17,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2 2026-02-10T11:42:17,330 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 2026-02-10T11:42:17,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2 2026-02-10T11:42:17,335 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 2026-02-10T11:42:17,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p 2026-02-10T11:42:17,339 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 2026-02-10T11:42:17,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op 2026-02-10T11:42:17,343 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 2026-02-10T11:42:17,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:17,346 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 2026-02-10T11:42:17,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:17,350 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 2026-02-10T11:42:17,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6 2026-02-10T11:42:17,354 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 2026-02-10T11:42:17,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4 2026-02-10T11:42:17,358 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 2026-02-10T11:42:17,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:17,362 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 2026-02-10T11:42:17,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass 2026-02-10T11:42:17,366 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 2026-02-10T11:42:17,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp 2026-02-10T11:42:17,370 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 2026-02-10T11:42:17,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p 2026-02-10T11:42:17,374 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 2026-02-10T11:42:17,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3 2026-02-10T11:42:17,378 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 2026-02-10T11:42:17,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G 2026-02-10T11:42:17,381 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 2026-02-10T11:42:17,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p 2026-02-10T11:42:17,385 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 2026-02-10T11:42:17,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:17,390 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 2026-02-10T11:42:17,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp 2026-02-10T11:42:17,393 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 2026-02-10T11:42:17,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4 2026-02-10T11:42:17,397 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 2026-02-10T11:42:17,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A 2026-02-10T11:42:17,401 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 2026-02-10T11:42:17,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp 2026-02-10T11:42:17,405 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 2026-02-10T11:42:17,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:17,409 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 2026-02-10T11:42:17,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2 2026-02-10T11:42:17,413 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 2026-02-10T11:42:17,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p 2026-02-10T11:42:17,417 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 2026-02-10T11:42:17,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s 2026-02-10T11:42:17,421 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 2026-02-10T11:42:17,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp 2026-02-10T11:42:17,424 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 2026-02-10T11:42:17,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:17,428 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 2026-02-10T11:42:17,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl 2026-02-10T11:42:17,432 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 2026-02-10T11:42:17,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3 2026-02-10T11:42:17,436 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 2026-02-10T11:42:17,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp 2026-02-10T11:42:17,440 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 2026-02-10T11:42:17,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:17,445 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 2026-02-10T11:42:17,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p 2026-02-10T11:42:17,449 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 2026-02-10T11:42:17,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o 2026-02-10T11:42:17,453 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 2026-02-10T11:42:17,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:17,457 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 2026-02-10T11:42:17,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2026-02-10T11:42:17,462 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol 2026-02-10T11:42:17,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s 2026-02-10T11:42:17,466 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 2026-02-10T11:42:17,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp 2026-02-10T11:42:17,471 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 2026-02-10T11:42:17,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p 2026-02-10T11:42:17,476 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 2026-02-10T11:42:17,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8 2026-02-10T11:42:17,480 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 2026-02-10T11:42:17,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p 2026-02-10T11:42:17,485 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 2026-02-10T11:42:17,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p 2026-02-10T11:42:17,489 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 2026-02-10T11:42:17,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp 2026-02-10T11:42:17,494 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 2026-02-10T11:42:17,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76 2026-02-10T11:42:17,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17 2026-02-10T11:42:17,501 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 2026-02-10T11:42:17,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2 2026-02-10T11:42:17,505 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 2026-02-10T11:42:17,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co 2026-02-10T11:42:17,509 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 2026-02-10T11:42:17,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn 2026-02-10T11:42:17,513 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 2026-02-10T11:42:17,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl- 2026-02-10T11:42:17,517 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- 2026-02-10T11:42:17,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05 2026-02-10T11:42:17,520 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 2026-02-10T11:42:17,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:17,525 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 2026-02-10T11:42:17,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f 2026-02-10T11:42:17,529 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 2026-02-10T11:42:17,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl 2026-02-10T11:42:17,534 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 2026-02-10T11:42:17,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4 2026-02-10T11:42:17,538 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 2026-02-10T11:42:17,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:17,543 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 2026-02-10T11:42:17,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3 2026-02-10T11:42:17,547 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 2026-02-10T11:42:17,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4 2026-02-10T11:42:17,551 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 2026-02-10T11:42:17,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14 2026-02-10T11:42:17,555 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 2026-02-10T11:42:17,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts 2026-02-10T11:42:17,560 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 2026-02-10T11:42:17,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS 2026-02-10T11:42:17,565 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 2026-02-10T11:42:17,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:17,569 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 2026-02-10T11:42:17,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20 2026-02-10T11:42:17,572 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 2026-02-10T11:42:17,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc 2026-02-10T11:42:17,576 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 2026-02-10T11:42:17,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:17,581 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 2026-02-10T11:42:17,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o 2026-02-10T11:42:17,585 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 2026-02-10T11:42:17,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07 2026-02-10T11:42:17,590 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 2026-02-10T11:42:17,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:17,594 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 2026-02-10T11:42:17,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2 2026-02-10T11:42:17,599 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 2026-02-10T11:42:17,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5 2026-02-10T11:42:17,603 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 2026-02-10T11:42:17,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2 2026-02-10T11:42:17,608 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 2026-02-10T11:42:17,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:17,612 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 2026-02-10T11:42:17,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf 2026-02-10T11:42:17,617 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 2026-02-10T11:42:17,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7 2026-02-10T11:42:17,620 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 2026-02-10T11:42:17,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5 2026-02-10T11:42:17,624 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 2026-02-10T11:42:17,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18 2026-02-10T11:42:17,627 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 2026-02-10T11:42:17,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:17,631 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 2026-02-10T11:42:17,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH 2026-02-10T11:42:17,636 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 2026-02-10T11:42:17,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16 2026-02-10T11:42:17,640 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 2026-02-10T11:42:17,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10 2026-02-10T11:42:17,645 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 2026-02-10T11:42:17,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19 2026-02-10T11:42:17,649 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 2026-02-10T11:42:17,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:17,653 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 2026-02-10T11:42:17,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04 2026-02-10T11:42:17,657 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 2026-02-10T11:42:17,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2 2026-02-10T11:42:17,661 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 2026-02-10T11:42:17,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2 2026-02-10T11:42:17,665 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 2026-02-10T11:42:17,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02 2026-02-10T11:42:17,669 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 2026-02-10T11:42:17,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh- 2026-02-10T11:42:17,672 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- 2026-02-10T11:42:17,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8 2026-02-10T11:42:17,676 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 2026-02-10T11:42:17,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:17,679 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 2026-02-10T11:42:17,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22 2026-02-10T11:42:17,684 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 2026-02-10T11:42:17,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f- 2026-02-10T11:42:17,688 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- 2026-02-10T11:42:17,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S 2026-02-10T11:42:17,693 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 2026-02-10T11:42:17,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:17,697 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 2026-02-10T11:42:17,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts 2026-02-10T11:42:17,702 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 2026-02-10T11:42:17,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:17,706 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 2026-02-10T11:42:17,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:17,711 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 2026-02-10T11:42:17,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco 2026-02-10T11:42:17,715 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 2026-02-10T11:42:17,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15 2026-02-10T11:42:17,720 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 2026-02-10T11:42:17,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2 2026-02-10T11:42:17,724 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 2026-02-10T11:42:17,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06 2026-02-10T11:42:17,729 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 2026-02-10T11:42:17,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13 2026-02-10T11:42:17,733 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 2026-02-10T11:42:17,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11 2026-02-10T11:42:17,736 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 2026-02-10T11:42:17,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08 2026-02-10T11:42:17,741 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 2026-02-10T11:42:17,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf 2026-02-10T11:42:17,745 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 2026-02-10T11:42:17,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts 2026-02-10T11:42:17,750 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 2026-02-10T11:42:17,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O 2026-02-10T11:42:17,754 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 2026-02-10T11:42:17,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:17,759 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 2026-02-10T11:42:17,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H 2026-02-10T11:42:17,763 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 2026-02-10T11:42:17,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl 2026-02-10T11:42:17,767 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 2026-02-10T11:42:17,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:17,772 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 2026-02-10T11:42:17,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f 2026-02-10T11:42:17,776 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 2026-02-10T11:42:17,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12 2026-02-10T11:42:17,780 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 2026-02-10T11:42:17,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots 2026-02-10T11:42:17,785 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 2026-02-10T11:42:17,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:17,788 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 2026-02-10T11:42:17,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01 2026-02-10T11:42:17,793 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 2026-02-10T11:42:17,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2 2026-02-10T11:42:17,796 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 2026-02-10T11:42:17,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3 2026-02-10T11:42:17,799 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 2026-02-10T11:42:17,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O 2026-02-10T11:42:17,804 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 2026-02-10T11:42:17,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh 2026-02-10T11:42:17,808 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 2026-02-10T11:42:17,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:17,812 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 2026-02-10T11:42:17,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:17,817 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 2026-02-10T11:42:17,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:17,821 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 2026-02-10T11:42:17,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6 2026-02-10T11:42:17,824 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 2026-02-10T11:42:17,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:17,827 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 2026-02-10T11:42:17,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03 2026-02-10T11:42:17,831 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 2026-02-10T11:42:17,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3 2026-02-10T11:42:17,835 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 2026-02-10T11:42:17,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:17,840 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 2026-02-10T11:42:17,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09 2026-02-10T11:42:17,844 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 2026-02-10T11:42:17,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h 2026-02-10T11:42:17,848 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 2026-02-10T11:42:17,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:17,852 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 2026-02-10T11:42:17,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21 2026-02-10T11:42:17,856 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 2026-02-10T11:42:17,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA 2026-02-10T11:42:17,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:17,862 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 2026-02-10T11:42:17,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:17,865 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 2026-02-10T11:42:17,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:17,870 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 2026-02-10T11:42:17,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:17,873 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 2026-02-10T11:42:17,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:17,877 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 2026-02-10T11:42:17,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:17,880 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 2026-02-10T11:42:17,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:17,884 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 2026-02-10T11:42:17,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:17,887 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 2026-02-10T11:42:17,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:17,890 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- 2026-02-10T11:42:17,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:17,894 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 2026-02-10T11:42:17,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:17,898 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 2026-02-10T11:42:17,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:17,902 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 2026-02-10T11:42:17,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:17,906 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 2026-02-10T11:42:17,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:17,910 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 2026-02-10T11:42:17,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:17,913 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 2026-02-10T11:42:17,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:17,916 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 2026-02-10T11:42:17,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:17,921 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- 2026-02-10T11:42:17,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:17,925 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 2026-02-10T11:42:17,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:17,929 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- 2026-02-10T11:42:17,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:17,933 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 2026-02-10T11:42:17,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:17,936 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 2026-02-10T11:42:17,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:17,940 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 2026-02-10T11:42:17,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:17,944 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 2026-02-10T11:42:17,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:17,948 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 2026-02-10T11:42:17,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:17,953 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 2026-02-10T11:42:17,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:17,957 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 2026-02-10T11:42:17,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:17,962 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 2026-02-10T11:42:17,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:17,966 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 2026-02-10T11:42:17,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:17,970 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 2026-02-10T11:42:17,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:17,975 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 2026-02-10T11:42:17,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:17,979 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 2026-02-10T11:42:17,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:17,984 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 2026-02-10T11:42:17,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:17,988 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 2026-02-10T11:42:17,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:17,992 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- 2026-02-10T11:42:17,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:17,996 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 2026-02-10T11:42:17,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:18,000 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 2026-02-10T11:42:18,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:18,005 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 2026-02-10T11:42:18,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:18,009 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 2026-02-10T11:42:18,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:18,014 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 2026-02-10T11:42:18,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:18,018 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 2026-02-10T11:42:18,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:18,022 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- 2026-02-10T11:42:18,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:18,027 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 2026-02-10T11:42:18,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:18,031 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 2026-02-10T11:42:18,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:18,035 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 2026-02-10T11:42:18,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:18,040 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 2026-02-10T11:42:18,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:18,044 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- 2026-02-10T11:42:18,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:18,049 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- 2026-02-10T11:42:18,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:18,053 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 2026-02-10T11:42:18,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:18,058 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 2026-02-10T11:42:18,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:18,062 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 2026-02-10T11:42:18,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF 2026-02-10T11:42:18,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8 2026-02-10T11:42:18,067 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 2026-02-10T11:42:18,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30 2026-02-10T11:42:18,071 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 2026-02-10T11:42:18,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43 2026-02-10T11:42:18,075 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 2026-02-10T11:42:18,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19 2026-02-10T11:42:18,079 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 2026-02-10T11:42:18,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33 2026-02-10T11:42:18,082 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 2026-02-10T11:42:18,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16 2026-02-10T11:42:18,086 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 2026-02-10T11:42:18,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9 2026-02-10T11:42:18,090 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 2026-02-10T11:42:18,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42 2026-02-10T11:42:18,094 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 2026-02-10T11:42:18,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41 2026-02-10T11:42:18,098 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 2026-02-10T11:42:18,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45 2026-02-10T11:42:18,103 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 2026-02-10T11:42:18,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22 2026-02-10T11:42:18,106 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 2026-02-10T11:42:18,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28 2026-02-10T11:42:18,110 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 2026-02-10T11:42:18,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36 2026-02-10T11:42:18,114 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 2026-02-10T11:42:18,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25 2026-02-10T11:42:18,119 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 2026-02-10T11:42:18,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12 2026-02-10T11:42:18,123 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 2026-02-10T11:42:18,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23 2026-02-10T11:42:18,128 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 2026-02-10T11:42:18,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48 2026-02-10T11:42:18,132 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 2026-02-10T11:42:18,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52 2026-02-10T11:42:18,136 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 2026-02-10T11:42:18,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49 2026-02-10T11:42:18,141 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 2026-02-10T11:42:18,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20 2026-02-10T11:42:18,145 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 2026-02-10T11:42:18,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4 2026-02-10T11:42:18,149 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 2026-02-10T11:42:18,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24 2026-02-10T11:42:18,153 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 2026-02-10T11:42:18,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40 2026-02-10T11:42:18,157 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 2026-02-10T11:42:18,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3 2026-02-10T11:42:18,161 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 2026-02-10T11:42:18,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47 2026-02-10T11:42:18,164 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 2026-02-10T11:42:18,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14 2026-02-10T11:42:18,168 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 2026-02-10T11:42:18,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51 2026-02-10T11:42:18,172 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 2026-02-10T11:42:18,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50 2026-02-10T11:42:18,176 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 2026-02-10T11:42:18,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2 2026-02-10T11:42:18,181 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 2026-02-10T11:42:18,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44 2026-02-10T11:42:18,185 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 2026-02-10T11:42:18,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7 2026-02-10T11:42:18,189 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 2026-02-10T11:42:18,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35 2026-02-10T11:42:18,193 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 2026-02-10T11:42:18,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32 2026-02-10T11:42:18,196 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 2026-02-10T11:42:18,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21 2026-02-10T11:42:18,201 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 2026-02-10T11:42:18,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37 2026-02-10T11:42:18,205 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 2026-02-10T11:42:18,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11 2026-02-10T11:42:18,210 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 2026-02-10T11:42:18,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5 2026-02-10T11:42:18,214 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 2026-02-10T11:42:18,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38 2026-02-10T11:42:18,218 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 2026-02-10T11:42:18,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1 2026-02-10T11:42:18,222 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 2026-02-10T11:42:18,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46 2026-02-10T11:42:18,227 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 2026-02-10T11:42:18,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29 2026-02-10T11:42:18,231 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 2026-02-10T11:42:18,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18 2026-02-10T11:42:18,236 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 2026-02-10T11:42:18,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17 2026-02-10T11:42:18,240 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 2026-02-10T11:42:18,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6 2026-02-10T11:42:18,244 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 2026-02-10T11:42:18,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26 2026-02-10T11:42:18,248 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 2026-02-10T11:42:18,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10 2026-02-10T11:42:18,252 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 2026-02-10T11:42:18,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39 2026-02-10T11:42:18,256 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 2026-02-10T11:42:18,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13 2026-02-10T11:42:18,260 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 2026-02-10T11:42:18,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34 2026-02-10T11:42:18,264 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 2026-02-10T11:42:18,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15 2026-02-10T11:42:18,268 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 2026-02-10T11:42:18,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27 2026-02-10T11:42:18,271 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 2026-02-10T11:42:18,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31 2026-02-10T11:42:18,277 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 2026-02-10T11:42:18,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13 2026-02-10T11:42:18,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6 2026-02-10T11:42:18,283 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 2026-02-10T11:42:18,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3 2026-02-10T11:42:18,286 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 2026-02-10T11:42:18,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4 2026-02-10T11:42:18,290 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 2026-02-10T11:42:18,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen 2026-02-10T11:42:18,294 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 2026-02-10T11:42:18,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:18,298 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 2026-02-10T11:42:18,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen 2026-02-10T11:42:18,302 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 2026-02-10T11:42:18,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:18,305 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 2026-02-10T11:42:18,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2 2026-02-10T11:42:18,309 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 2026-02-10T11:42:18,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2 2026-02-10T11:42:18,312 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 2026-02-10T11:42:18,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4 2026-02-10T11:42:18,316 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 2026-02-10T11:42:18,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:18,319 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 2026-02-10T11:42:18,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2 2026-02-10T11:42:18,324 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 2026-02-10T11:42:18,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb 2026-02-10T11:42:18,328 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 2026-02-10T11:42:18,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:18,332 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 2026-02-10T11:42:18,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:18,335 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 2026-02-10T11:42:18,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage 2026-02-10T11:42:18,339 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 2026-02-10T11:42:18,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:18,342 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 2026-02-10T11:42:18,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip 2026-02-10T11:42:18,347 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 2026-02-10T11:42:18,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:18,353 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 2026-02-10T11:42:18,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:18,358 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 2026-02-10T11:42:18,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:18,363 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 2026-02-10T11:42:18,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:18,366 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 2026-02-10T11:42:18,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8 2026-02-10T11:42:18,371 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 2026-02-10T11:42:18,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:18,376 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 2026-02-10T11:42:18,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:18,380 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 2026-02-10T11:42:18,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL 2026-02-10T11:42:18,384 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 2026-02-10T11:42:18,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:18,387 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 2026-02-10T11:42:18,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be 2026-02-10T11:42:18,392 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 2026-02-10T11:42:18,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:18,397 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 2026-02-10T11:42:18,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:18,402 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 2026-02-10T11:42:18,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4 2026-02-10T11:42:18,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:42:18,408 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 2026-02-10T11:42:18,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he 2026-02-10T11:42:18,412 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 2026-02-10T11:42:18,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:42:18,634 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 2026-02-10T11:42:18,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:42:19,069 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 2026-02-10T11:42:19,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:42:19,077 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 2026-02-10T11:42:19,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:42:19,083 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 2026-02-10T11:42:19,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:42:19,089 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 2026-02-10T11:42:19,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:42:19,095 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 2026-02-10T11:42:19,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:42:19,102 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 2026-02-10T11:42:19,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:42:19,109 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 2026-02-10T11:42:19,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:42:19,116 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 2026-02-10T11:42:19,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:42:19,122 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 2026-02-10T11:42:19,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:42:19,128 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 2026-02-10T11:42:19,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:19,135 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+ 2026-02-10T11:42:19,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:19,142 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 2026-02-10T11:42:19,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:19,149 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+ 2026-02-10T11:42:19,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:42:19,155 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 2026-02-10T11:42:19,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:42:19,160 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 2026-02-10T11:42:19,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:19,164 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+ 2026-02-10T11:42:19,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:42:19,167 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 2026-02-10T11:42:19,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:19,171 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 2026-02-10T11:42:19,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:42:19,175 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 2026-02-10T11:42:19,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h 2026-02-10T11:42:19,179 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 2026-02-10T11:42:19,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21 2026-02-10T11:42:19,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444 2026-02-10T11:42:19,185 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 2026-02-10T11:42:19,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366 2026-02-10T11:42:19,189 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 2026-02-10T11:42:19,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114 2026-02-10T11:42:19,193 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 2026-02-10T11:42:19,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:19,197 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 2026-02-10T11:42:19,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99 2026-02-10T11:42:19,200 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 2026-02-10T11:42:19,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224 2026-02-10T11:42:19,204 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 2026-02-10T11:42:19,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:19,208 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 2026-02-10T11:42:19,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:19,211 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 2026-02-10T11:42:19,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:19,215 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 2026-02-10T11:42:19,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691 2026-02-10T11:42:19,219 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 2026-02-10T11:42:19,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357 2026-02-10T11:42:19,223 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 2026-02-10T11:42:19,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:19,227 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 2026-02-10T11:42:19,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215 2026-02-10T11:42:19,231 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 2026-02-10T11:42:19,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:19,235 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 2026-02-10T11:42:19,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:19,240 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 2026-02-10T11:42:19,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412 2026-02-10T11:42:19,245 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 2026-02-10T11:42:19,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:19,249 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 2026-02-10T11:42:19,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470 2026-02-10T11:42:19,254 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 2026-02-10T11:42:19,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300 2026-02-10T11:42:19,258 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 2026-02-10T11:42:19,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:19,262 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 2026-02-10T11:42:19,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:19,265 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 2026-02-10T11:42:19,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24 2026-02-10T11:42:19,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:19,272 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 2026-02-10T11:42:19,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:19,276 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 2026-02-10T11:42:19,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:19,280 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 2026-02-10T11:42:19,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:19,285 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 2026-02-10T11:42:19,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:19,289 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 2026-02-10T11:42:19,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:19,293 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 2026-02-10T11:42:19,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:19,296 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 2026-02-10T11:42:19,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:19,300 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 2026-02-10T11:42:19,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:19,304 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 2026-02-10T11:42:19,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:19,308 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 2026-02-10T11:42:19,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:19,312 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 2026-02-10T11:42:19,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:19,316 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 2026-02-10T11:42:19,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:19,319 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 2026-02-10T11:42:19,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:19,323 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 2026-02-10T11:42:19,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:19,327 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 2026-02-10T11:42:19,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:19,331 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 2026-02-10T11:42:19,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:19,335 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 2026-02-10T11:42:19,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:19,338 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 2026-02-10T11:42:19,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:19,342 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 2026-02-10T11:42:19,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:19,346 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 2026-02-10T11:42:19,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:19,349 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 2026-02-10T11:42:19,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:19,353 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 2026-02-10T11:42:19,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:19,357 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 2026-02-10T11:42:19,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:19,361 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 2026-02-10T11:42:19,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:19,366 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 2026-02-10T11:42:19,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:19,370 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 2026-02-10T11:42:19,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:19,374 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 2026-02-10T11:42:19,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:19,378 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 2026-02-10T11:42:19,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:19,382 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 2026-02-10T11:42:19,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:19,385 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 2026-02-10T11:42:19,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:19,390 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 2026-02-10T11:42:19,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:19,394 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 2026-02-10T11:42:19,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:19,398 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 2026-02-10T11:42:19,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:19,402 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 2026-02-10T11:42:19,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:19,406 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 2026-02-10T11:42:19,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:19,409 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 2026-02-10T11:42:19,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:19,414 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 2026-02-10T11:42:19,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:19,418 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 2026-02-10T11:42:19,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:19,423 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 2026-02-10T11:42:19,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:19,427 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 2026-02-10T11:42:19,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:19,432 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 2026-02-10T11:42:19,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:19,436 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 2026-02-10T11:42:19,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:19,440 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 2026-02-10T11:42:19,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:19,444 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 2026-02-10T11:42:19,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:19,448 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 2026-02-10T11:42:19,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:19,452 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 2026-02-10T11:42:19,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:19,456 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 2026-02-10T11:42:19,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:19,460 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 2026-02-10T11:42:19,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI 2026-02-10T11:42:19,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:19,466 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 2026-02-10T11:42:19,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:19,469 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 2026-02-10T11:42:19,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:19,473 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 2026-02-10T11:42:19,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:19,476 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 2026-02-10T11:42:19,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:19,481 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 2026-02-10T11:42:19,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:19,484 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 2026-02-10T11:42:19,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:19,488 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 2026-02-10T11:42:19,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:19,492 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 2026-02-10T11:42:19,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:19,496 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 2026-02-10T11:42:19,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:42:19,499 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 2026-02-10T11:42:19,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:19,503 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 2026-02-10T11:42:19,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:42:19,506 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 2026-02-10T11:42:19,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:42:19,511 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 2026-02-10T11:42:19,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:19,515 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 2026-02-10T11:42:19,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:19,519 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 2026-02-10T11:42:19,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r 2026-02-10T11:42:19,523 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 2026-02-10T11:42:19,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:19,527 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 2026-02-10T11:42:19,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:42:19,530 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 2026-02-10T11:42:19,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:19,534 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 2026-02-10T11:42:19,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r 2026-02-10T11:42:19,538 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 2026-02-10T11:42:19,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:19,543 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 2026-02-10T11:42:19,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:19,547 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 2026-02-10T11:42:19,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:19,552 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 2026-02-10T11:42:19,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:19,556 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 2026-02-10T11:42:19,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:19,560 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 2026-02-10T11:42:19,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:19,564 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 2026-02-10T11:42:19,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:19,568 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 2026-02-10T11:42:19,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r 2026-02-10T11:42:19,571 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 2026-02-10T11:42:19,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:19,576 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 2026-02-10T11:42:19,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:19,581 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 2026-02-10T11:42:19,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r 2026-02-10T11:42:19,584 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 2026-02-10T11:42:19,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:19,588 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 2026-02-10T11:42:19,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:19,591 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 2026-02-10T11:42:19,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:19,595 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 2026-02-10T11:42:19,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r 2026-02-10T11:42:19,598 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 2026-02-10T11:42:19,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:19,602 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 2026-02-10T11:42:19,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:19,606 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 2026-02-10T11:42:19,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:19,610 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 2026-02-10T11:42:19,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:19,614 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 2026-02-10T11:42:19,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:19,618 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 2026-02-10T11:42:19,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:19,622 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 2026-02-10T11:42:19,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:19,625 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 2026-02-10T11:42:19,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:19,629 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 2026-02-10T11:42:19,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:19,633 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 2026-02-10T11:42:19,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:42:19,638 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 2026-02-10T11:42:19,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:19,642 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 2026-02-10T11:42:19,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:19,647 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 2026-02-10T11:42:19,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:19,651 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 2026-02-10T11:42:19,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r 2026-02-10T11:42:19,655 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 2026-02-10T11:42:19,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r 2026-02-10T11:42:19,659 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 2026-02-10T11:42:19,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:19,662 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 2026-02-10T11:42:19,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:19,666 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 2026-02-10T11:42:19,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:19,669 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 2026-02-10T11:42:19,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r 2026-02-10T11:42:19,674 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 2026-02-10T11:42:19,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:19,678 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 2026-02-10T11:42:19,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:19,682 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 2026-02-10T11:42:19,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:19,686 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 2026-02-10T11:42:19,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:42:19,690 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 2026-02-10T11:42:19,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:19,694 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 2026-02-10T11:42:19,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:42:19,698 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 2026-02-10T11:42:19,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:19,703 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 2026-02-10T11:42:19,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34 2026-02-10T11:42:19,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27 2026-02-10T11:42:19,709 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 2026-02-10T11:42:19,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32 2026-02-10T11:42:19,714 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 2026-02-10T11:42:19,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34 2026-02-10T11:42:19,718 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 2026-02-10T11:42:19,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22 2026-02-10T11:42:19,722 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 2026-02-10T11:42:19,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31 2026-02-10T11:42:19,727 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 2026-02-10T11:42:19,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21 2026-02-10T11:42:19,731 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 2026-02-10T11:42:19,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34 2026-02-10T11:42:19,736 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 2026-02-10T11:42:19,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7 2026-02-10T11:42:19,741 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 2026-02-10T11:42:19,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9 2026-02-10T11:42:19,746 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 2026-02-10T11:42:19,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29 2026-02-10T11:42:19,753 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 2026-02-10T11:42:19,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26 2026-02-10T11:42:19,759 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 2026-02-10T11:42:19,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14 2026-02-10T11:42:19,765 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 2026-02-10T11:42:19,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1 2026-02-10T11:42:19,771 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 2026-02-10T11:42:19,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26 2026-02-10T11:42:19,778 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 2026-02-10T11:42:19,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9 2026-02-10T11:42:19,783 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 2026-02-10T11:42:19,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32 2026-02-10T11:42:19,789 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 2026-02-10T11:42:19,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31 2026-02-10T11:42:19,795 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 2026-02-10T11:42:19,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19 2026-02-10T11:42:19,801 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 2026-02-10T11:42:19,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18 2026-02-10T11:42:19,807 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 2026-02-10T11:42:19,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16 2026-02-10T11:42:19,813 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 2026-02-10T11:42:19,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21 2026-02-10T11:42:19,817 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 2026-02-10T11:42:19,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1 2026-02-10T11:42:19,823 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 2026-02-10T11:42:19,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18 2026-02-10T11:42:19,827 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 2026-02-10T11:42:19,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12 2026-02-10T11:42:19,830 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 2026-02-10T11:42:19,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29 2026-02-10T11:42:19,834 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 2026-02-10T11:42:19,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2 2026-02-10T11:42:19,839 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 2026-02-10T11:42:19,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17 2026-02-10T11:42:19,844 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 2026-02-10T11:42:19,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25 2026-02-10T11:42:19,849 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 2026-02-10T11:42:19,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27 2026-02-10T11:42:19,853 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 2026-02-10T11:42:19,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3 2026-02-10T11:42:19,858 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 2026-02-10T11:42:19,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24 2026-02-10T11:42:19,862 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 2026-02-10T11:42:19,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10 2026-02-10T11:42:19,867 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 2026-02-10T11:42:19,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13 2026-02-10T11:42:19,872 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 2026-02-10T11:42:19,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20 2026-02-10T11:42:19,877 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 2026-02-10T11:42:19,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30 2026-02-10T11:42:19,882 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 2026-02-10T11:42:19,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33 2026-02-10T11:42:19,887 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 2026-02-10T11:42:19,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4 2026-02-10T11:42:19,891 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 2026-02-10T11:42:19,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8 2026-02-10T11:42:19,896 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 2026-02-10T11:42:19,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15 2026-02-10T11:42:19,901 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 2026-02-10T11:42:19,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3 2026-02-10T11:42:19,906 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 2026-02-10T11:42:19,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23 2026-02-10T11:42:19,911 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 2026-02-10T11:42:19,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24 2026-02-10T11:42:19,915 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 2026-02-10T11:42:19,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11 2026-02-10T11:42:19,920 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 2026-02-10T11:42:19,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12 2026-02-10T11:42:19,924 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 2026-02-10T11:42:19,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23 2026-02-10T11:42:19,929 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 2026-02-10T11:42:19,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4 2026-02-10T11:42:19,934 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 2026-02-10T11:42:19,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15 2026-02-10T11:42:19,939 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 2026-02-10T11:42:19,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28 2026-02-10T11:42:19,943 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 2026-02-10T11:42:19,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33 2026-02-10T11:42:19,947 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 2026-02-10T11:42:19,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5 2026-02-10T11:42:19,951 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 2026-02-10T11:42:19,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11 2026-02-10T11:42:19,957 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 2026-02-10T11:42:19,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14 2026-02-10T11:42:19,962 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 2026-02-10T11:42:19,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20 2026-02-10T11:42:19,967 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 2026-02-10T11:42:19,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16 2026-02-10T11:42:19,971 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 2026-02-10T11:42:19,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28 2026-02-10T11:42:19,976 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 2026-02-10T11:42:19,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17 2026-02-10T11:42:19,981 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 2026-02-10T11:42:19,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25 2026-02-10T11:42:19,986 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 2026-02-10T11:42:19,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30 2026-02-10T11:42:19,991 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 2026-02-10T11:42:19,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7 2026-02-10T11:42:19,996 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 2026-02-10T11:42:20,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8 2026-02-10T11:42:20,001 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 2026-02-10T11:42:20,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13 2026-02-10T11:42:20,005 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 2026-02-10T11:42:20,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6 2026-02-10T11:42:20,011 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 2026-02-10T11:42:20,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10 2026-02-10T11:42:20,016 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 2026-02-10T11:42:20,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18 2026-02-10T11:42:20,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:20,025 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 2026-02-10T11:42:20,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:20,030 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 2026-02-10T11:42:20,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:20,035 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 2026-02-10T11:42:20,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:20,040 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 2026-02-10T11:42:20,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:20,045 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 2026-02-10T11:42:20,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:20,050 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 2026-02-10T11:42:20,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:20,054 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 2026-02-10T11:42:20,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:20,059 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 2026-02-10T11:42:20,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:20,064 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 2026-02-10T11:42:20,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:20,067 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:20,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:20,071 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 2026-02-10T11:42:20,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:20,075 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 2026-02-10T11:42:20,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:20,079 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 2026-02-10T11:42:20,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:20,082 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 2026-02-10T11:42:20,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:20,086 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 2026-02-10T11:42:20,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:20,090 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 2026-02-10T11:42:20,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:20,095 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 2026-02-10T11:42:20,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:20,098 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 2026-02-10T11:42:20,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:20,101 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 2026-02-10T11:42:20,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:20,105 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 2026-02-10T11:42:20,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:20,108 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 2026-02-10T11:42:20,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:20,112 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 2026-02-10T11:42:20,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:20,115 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 2026-02-10T11:42:20,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:20,119 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 2026-02-10T11:42:20,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:20,124 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 2026-02-10T11:42:20,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:20,128 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 2026-02-10T11:42:20,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:20,131 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 2026-02-10T11:42:20,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:20,134 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 2026-02-10T11:42:20,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10 2026-02-10T11:42:20,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:20,140 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 2026-02-10T11:42:20,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:20,144 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 2026-02-10T11:42:20,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:20,148 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 2026-02-10T11:42:20,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:20,152 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 2026-02-10T11:42:20,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:20,156 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 2026-02-10T11:42:20,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:20,160 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 2026-02-10T11:42:20,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:20,165 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 2026-02-10T11:42:20,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:20,169 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 2026-02-10T11:42:20,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:20,173 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 2026-02-10T11:42:20,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:20,177 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 2026-02-10T11:42:20,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:20,182 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 2026-02-10T11:42:20,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:20,185 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 2026-02-10T11:42:20,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:20,188 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 2026-02-10T11:42:20,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:20,193 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 2026-02-10T11:42:20,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:20,196 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 2026-02-10T11:42:20,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:20,200 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 2026-02-10T11:42:20,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:20,205 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 2026-02-10T11:42:20,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:20,209 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 2026-02-10T11:42:20,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:20,213 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 2026-02-10T11:42:20,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:20,217 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 2026-02-10T11:42:20,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36 2026-02-10T11:42:20,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4 2026-02-10T11:42:20,223 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 2026-02-10T11:42:20,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15 2026-02-10T11:42:20,227 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 2026-02-10T11:42:20,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1 2026-02-10T11:42:20,231 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 2026-02-10T11:42:20,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:20,236 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 2026-02-10T11:42:20,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7 2026-02-10T11:42:20,240 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 2026-02-10T11:42:20,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8 2026-02-10T11:42:20,243 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 2026-02-10T11:42:20,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1 2026-02-10T11:42:20,247 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 2026-02-10T11:42:20,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12 2026-02-10T11:42:20,251 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 2026-02-10T11:42:20,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13 2026-02-10T11:42:20,255 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 2026-02-10T11:42:20,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16 2026-02-10T11:42:20,259 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 2026-02-10T11:42:20,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2 2026-02-10T11:42:20,263 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 2026-02-10T11:42:20,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9 2026-02-10T11:42:20,267 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 2026-02-10T11:42:20,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4 2026-02-10T11:42:20,271 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 2026-02-10T11:42:20,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13 2026-02-10T11:42:20,275 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 2026-02-10T11:42:20,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5 2026-02-10T11:42:20,280 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 2026-02-10T11:42:20,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11 2026-02-10T11:42:20,283 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 2026-02-10T11:42:20,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6 2026-02-10T11:42:20,287 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 2026-02-10T11:42:20,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14 2026-02-10T11:42:20,291 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 2026-02-10T11:42:20,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10 2026-02-10T11:42:20,294 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 2026-02-10T11:42:20,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2 2026-02-10T11:42:20,298 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 2026-02-10T11:42:20,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3 2026-02-10T11:42:20,302 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 2026-02-10T11:42:20,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7 2026-02-10T11:42:20,305 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 2026-02-10T11:42:20,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10 2026-02-10T11:42:20,309 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 2026-02-10T11:42:20,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4 2026-02-10T11:42:20,312 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 2026-02-10T11:42:20,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6 2026-02-10T11:42:20,316 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 2026-02-10T11:42:20,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1 2026-02-10T11:42:20,321 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 2026-02-10T11:42:20,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14 2026-02-10T11:42:20,327 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 2026-02-10T11:42:20,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15 2026-02-10T11:42:20,332 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 2026-02-10T11:42:20,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5 2026-02-10T11:42:20,337 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 2026-02-10T11:42:20,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2 2026-02-10T11:42:20,341 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 2026-02-10T11:42:20,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8 2026-02-10T11:42:20,344 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 2026-02-10T11:42:20,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3 2026-02-10T11:42:20,348 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 2026-02-10T11:42:20,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12 2026-02-10T11:42:20,351 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 2026-02-10T11:42:20,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11 2026-02-10T11:42:20,355 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 2026-02-10T11:42:20,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4 2026-02-10T11:42:20,359 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 2026-02-10T11:42:20,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3 2026-02-10T11:42:20,363 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 2026-02-10T11:42:20,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9 2026-02-10T11:42:20,368 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 2026-02-10T11:42:20,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5 2026-02-10T11:42:20,372 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 2026-02-10T11:42:20,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8 2026-02-10T11:42:20,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h 2026-02-10T11:42:20,379 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 2026-02-10T11:42:20,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:20,384 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 2026-02-10T11:42:20,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:42:20,387 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 2026-02-10T11:42:20,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:20,391 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 2026-02-10T11:42:20,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:20,395 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 2026-02-10T11:42:20,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8 2026-02-10T11:42:20,399 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 2026-02-10T11:42:20,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:20,402 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 2026-02-10T11:42:20,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2 2026-02-10T11:42:20,406 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 2026-02-10T11:42:20,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+ 2026-02-10T11:42:20,410 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+ 2026-02-10T11:42:20,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:20,414 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 2026-02-10T11:42:20,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me 2026-02-10T11:42:20,418 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 2026-02-10T11:42:20,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2 2026-02-10T11:42:20,421 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 2026-02-10T11:42:20,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:42:20,425 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 2026-02-10T11:42:20,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8 2026-02-10T11:42:20,429 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 2026-02-10T11:42:20,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+ 2026-02-10T11:42:20,433 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+ 2026-02-10T11:42:20,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:20,436 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 2026-02-10T11:42:20,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:20,439 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 2026-02-10T11:42:20,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6 2026-02-10T11:42:20,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:20,445 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 2026-02-10T11:42:20,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:20,449 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 2026-02-10T11:42:20,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:20,452 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 2026-02-10T11:42:20,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:20,456 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 2026-02-10T11:42:20,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:20,460 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 2026-02-10T11:42:20,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:20,463 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 2026-02-10T11:42:20,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:20,467 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 2026-02-10T11:42:20,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:20,472 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 2026-02-10T11:42:20,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:20,475 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 2026-02-10T11:42:20,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:20,478 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 2026-02-10T11:42:20,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:20,482 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 2026-02-10T11:42:20,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:20,485 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 2026-02-10T11:42:20,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23 2026-02-10T11:42:20,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c 2026-02-10T11:42:20,491 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 2026-02-10T11:42:20,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a 2026-02-10T11:42:20,494 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 2026-02-10T11:42:20,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b 2026-02-10T11:42:20,498 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 2026-02-10T11:42:20,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z 2026-02-10T11:42:20,503 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 2026-02-10T11:42:20,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f 2026-02-10T11:42:20,507 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 2026-02-10T11:42:20,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a 2026-02-10T11:42:20,512 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 2026-02-10T11:42:20,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa 2026-02-10T11:42:20,516 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 2026-02-10T11:42:20,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a 2026-02-10T11:42:20,521 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 2026-02-10T11:42:20,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b 2026-02-10T11:42:20,525 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 2026-02-10T11:42:20,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d 2026-02-10T11:42:20,529 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 2026-02-10T11:42:20,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m 2026-02-10T11:42:20,533 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 2026-02-10T11:42:20,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p 2026-02-10T11:42:20,538 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 2026-02-10T11:42:20,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p 2026-02-10T11:42:20,542 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 2026-02-10T11:42:20,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g 2026-02-10T11:42:20,545 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 2026-02-10T11:42:20,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a 2026-02-10T11:42:20,550 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 2026-02-10T11:42:20,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a 2026-02-10T11:42:20,554 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 2026-02-10T11:42:20,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d 2026-02-10T11:42:20,558 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 2026-02-10T11:42:20,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p 2026-02-10T11:42:20,562 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 2026-02-10T11:42:20,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p 2026-02-10T11:42:20,566 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 2026-02-10T11:42:20,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a 2026-02-10T11:42:20,571 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 2026-02-10T11:42:20,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b 2026-02-10T11:42:20,576 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 2026-02-10T11:42:20,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h 2026-02-10T11:42:20,580 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 2026-02-10T11:42:20,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e 2026-02-10T11:42:20,584 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 2026-02-10T11:42:20,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b 2026-02-10T11:42:20,588 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 2026-02-10T11:42:20,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF 2026-02-10T11:42:20,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:20,594 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 2026-02-10T11:42:20,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:20,598 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 2026-02-10T11:42:20,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:20,603 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 2026-02-10T11:42:20,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:20,608 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 2026-02-10T11:42:20,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:20,612 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 2026-02-10T11:42:20,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:20,616 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 2026-02-10T11:42:20,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:20,620 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 2026-02-10T11:42:20,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:20,625 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 2026-02-10T11:42:20,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:20,629 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 2026-02-10T11:42:20,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:20,633 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 2026-02-10T11:42:20,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:20,638 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 2026-02-10T11:42:20,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:20,642 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 2026-02-10T11:42:20,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:20,647 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 2026-02-10T11:42:20,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:20,651 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 2026-02-10T11:42:20,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:20,654 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 2026-02-10T11:42:20,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:20,657 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 2026-02-10T11:42:20,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:20,661 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 2026-02-10T11:42:20,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:20,665 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 2026-02-10T11:42:20,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:20,670 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 2026-02-10T11:42:20,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:20,673 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 2026-02-10T11:42:20,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:20,677 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 2026-02-10T11:42:20,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:20,681 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 2026-02-10T11:42:20,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:20,686 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 2026-02-10T11:42:20,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:20,690 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 2026-02-10T11:42:20,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:20,694 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 2026-02-10T11:42:20,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:20,698 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 2026-02-10T11:42:20,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:20,702 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 2026-02-10T11:42:20,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF 2026-02-10T11:42:20,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:42:20,707 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+ 2026-02-10T11:42:20,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:20,711 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 2026-02-10T11:42:20,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:20,714 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 2026-02-10T11:42:20,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G 2026-02-10T11:42:20,718 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 2026-02-10T11:42:20,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T 2026-02-10T11:42:20,722 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 2026-02-10T11:42:20,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:20,726 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 2026-02-10T11:42:20,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:42:20,730 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+ 2026-02-10T11:42:20,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:42:20,734 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- 2026-02-10T11:42:20,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:20,738 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 2026-02-10T11:42:20,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:42:20,742 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- 2026-02-10T11:42:20,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:20,747 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 2026-02-10T11:42:20,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:42:20,751 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- 2026-02-10T11:42:20,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:20,754 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:20,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:20,758 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 2026-02-10T11:42:20,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:20,762 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 2026-02-10T11:42:20,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:20,766 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 2026-02-10T11:42:20,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:20,771 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 2026-02-10T11:42:20,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:42:20,775 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- 2026-02-10T11:42:20,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY 2026-02-10T11:42:20,781 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 2026-02-10T11:42:20,784 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 2026-02-10T11:42:20,786 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 2026-02-10T11:42:20,789 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 2026-02-10T11:42:20,791 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 2026-02-10T11:42:20,793 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 2026-02-10T11:42:20,795 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 2026-02-10T11:42:20,798 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 2026-02-10T11:42:20,801 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 2026-02-10T11:42:20,803 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 2026-02-10T11:42:20,806 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 2026-02-10T11:42:20,809 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 2026-02-10T11:42:20,812 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 2026-02-10T11:42:20,814 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 2026-02-10T11:42:20,817 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 2026-02-10T11:42:20,820 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 2026-02-10T11:42:20,822 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 2026-02-10T11:42:20,825 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 2026-02-10T11:42:20,828 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 2026-02-10T11:42:20,831 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 2026-02-10T11:42:20,834 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 2026-02-10T11:42:20,836 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 2026-02-10T11:42:20,838 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 2026-02-10T11:42:20,840 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 2026-02-10T11:42:20,842 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 2026-02-10T11:42:20,845 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 2026-02-10T11:42:20,848 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 2026-02-10T11:42:20,851 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 2026-02-10T11:42:20,853 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 2026-02-10T11:42:20,855 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 2026-02-10T11:42:20,857 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 2026-02-10T11:42:20,860 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 2026-02-10T11:42:20,862 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 2026-02-10T11:42:20,865 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 2026-02-10T11:42:20,868 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 2026-02-10T11:42:20,870 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 2026-02-10T11:42:20,873 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 2026-02-10T11:42:20,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20 2026-02-10T11:42:20,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,880 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,881 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,883 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,885 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,887 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,888 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,890 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,892 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,893 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,895 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,897 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,899 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,901 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,903 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,906 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,908 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,910 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,912 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,914 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,916 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,918 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,920 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,921 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,923 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,926 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,928 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,931 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,933 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,935 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,937 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,939 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,941 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,943 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,945 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,947 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,950 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY 2026-02-10T11:42:20,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES 2026-02-10T11:42:20,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43 2026-02-10T11:42:20,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30 2026-02-10T11:42:20,960 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 2026-02-10T11:42:20,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43 2026-02-10T11:42:20,965 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 2026-02-10T11:42:20,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2 2026-02-10T11:42:20,968 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 2026-02-10T11:42:20,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19 2026-02-10T11:42:20,972 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 2026-02-10T11:42:20,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33 2026-02-10T11:42:20,977 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 2026-02-10T11:42:20,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16 2026-02-10T11:42:20,981 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 2026-02-10T11:42:20,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4 2026-02-10T11:42:20,986 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 2026-02-10T11:42:20,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42 2026-02-10T11:42:20,991 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 2026-02-10T11:42:20,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4 2026-02-10T11:42:20,995 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 2026-02-10T11:42:20,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41 2026-02-10T11:42:20,999 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 2026-02-10T11:42:21,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22 2026-02-10T11:42:21,006 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 2026-02-10T11:42:21,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28 2026-02-10T11:42:21,013 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 2026-02-10T11:42:21,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36 2026-02-10T11:42:21,020 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 2026-02-10T11:42:21,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25 2026-02-10T11:42:21,027 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 2026-02-10T11:42:21,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12 2026-02-10T11:42:21,036 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 2026-02-10T11:42:21,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23 2026-02-10T11:42:21,043 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 2026-02-10T11:42:21,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH 2026-02-10T11:42:21,046 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 2026-02-10T11:42:21,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20 2026-02-10T11:42:21,050 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 2026-02-10T11:42:21,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24 2026-02-10T11:42:21,054 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 2026-02-10T11:42:21,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04 2026-02-10T11:42:21,058 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 2026-02-10T11:42:21,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40 2026-02-10T11:42:21,063 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 2026-02-10T11:42:21,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09 2026-02-10T11:42:21,067 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 2026-02-10T11:42:21,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2 2026-02-10T11:42:21,072 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 2026-02-10T11:42:21,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06 2026-02-10T11:42:21,077 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 2026-02-10T11:42:21,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2 2026-02-10T11:42:21,083 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 2026-02-10T11:42:21,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14 2026-02-10T11:42:21,092 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 2026-02-10T11:42:21,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3 2026-02-10T11:42:21,105 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 2026-02-10T11:42:21,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2 2026-02-10T11:42:21,330 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 2026-02-10T11:42:21,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03 2026-02-10T11:42:21,334 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 2026-02-10T11:42:21,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35 2026-02-10T11:42:21,337 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 2026-02-10T11:42:21,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32 2026-02-10T11:42:21,341 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 2026-02-10T11:42:21,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2 2026-02-10T11:42:21,345 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 2026-02-10T11:42:21,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21 2026-02-10T11:42:21,349 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 2026-02-10T11:42:21,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2 2026-02-10T11:42:21,353 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 2026-02-10T11:42:21,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01 2026-02-10T11:42:21,357 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 2026-02-10T11:42:21,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08 2026-02-10T11:42:21,361 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 2026-02-10T11:42:21,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37 2026-02-10T11:42:21,365 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 2026-02-10T11:42:21,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11 2026-02-10T11:42:21,369 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 2026-02-10T11:42:21,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2 2026-02-10T11:42:21,373 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 2026-02-10T11:42:21,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38 2026-02-10T11:42:21,376 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 2026-02-10T11:42:21,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07 2026-02-10T11:42:21,380 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 2026-02-10T11:42:21,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29 2026-02-10T11:42:21,383 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 2026-02-10T11:42:21,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18 2026-02-10T11:42:21,387 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 2026-02-10T11:42:21,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17 2026-02-10T11:42:21,391 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 2026-02-10T11:42:21,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26 2026-02-10T11:42:21,395 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 2026-02-10T11:42:21,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10 2026-02-10T11:42:21,399 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 2026-02-10T11:42:21,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39 2026-02-10T11:42:21,402 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 2026-02-10T11:42:21,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2 2026-02-10T11:42:21,406 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 2026-02-10T11:42:21,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05 2026-02-10T11:42:21,410 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 2026-02-10T11:42:21,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02 2026-02-10T11:42:21,413 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 2026-02-10T11:42:21,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH 2026-02-10T11:42:21,417 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 2026-02-10T11:42:21,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13 2026-02-10T11:42:21,420 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 2026-02-10T11:42:21,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3 2026-02-10T11:42:21,423 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 2026-02-10T11:42:21,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34 2026-02-10T11:42:21,427 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 2026-02-10T11:42:21,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15 2026-02-10T11:42:21,430 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 2026-02-10T11:42:21,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27 2026-02-10T11:42:21,434 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 2026-02-10T11:42:21,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2 2026-02-10T11:42:21,437 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 2026-02-10T11:42:21,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31 2026-02-10T11:42:21,441 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 2026-02-10T11:42:21,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6 2026-02-10T11:42:21,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:21,447 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 2026-02-10T11:42:21,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:21,451 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 2026-02-10T11:42:21,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:21,455 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 2026-02-10T11:42:21,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:21,459 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 2026-02-10T11:42:21,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:21,462 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 2026-02-10T11:42:21,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:21,466 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 2026-02-10T11:42:21,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:21,470 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 2026-02-10T11:42:21,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:21,473 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 2026-02-10T11:42:21,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:21,476 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 2026-02-10T11:42:21,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:21,480 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 2026-02-10T11:42:21,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:21,484 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 2026-02-10T11:42:21,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05 2026-02-10T11:42:21,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17 2026-02-10T11:42:21,494 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 2026-02-10T11:42:21,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8 2026-02-10T11:42:21,498 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 2026-02-10T11:42:21,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74 2026-02-10T11:42:21,502 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 2026-02-10T11:42:21,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43 2026-02-10T11:42:21,506 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 2026-02-10T11:42:21,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c 2026-02-10T11:42:21,510 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 2026-02-10T11:42:21,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn 2026-02-10T11:42:21,515 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 2026-02-10T11:42:21,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:42:21,518 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 2026-02-10T11:42:21,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:42:21,522 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 2026-02-10T11:42:21,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25 2026-02-10T11:42:21,525 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 2026-02-10T11:42:21,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he 2026-02-10T11:42:21,528 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 2026-02-10T11:42:21,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr 2026-02-10T11:42:21,532 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 2026-02-10T11:42:21,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64 2026-02-10T11:42:21,536 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 2026-02-10T11:42:21,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3 2026-02-10T11:42:21,539 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 2026-02-10T11:42:21,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:42:21,543 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 2026-02-10T11:42:21,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp 2026-02-10T11:42:21,546 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 2026-02-10T11:42:21,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68 2026-02-10T11:42:21,550 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 2026-02-10T11:42:21,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic 2026-02-10T11:42:21,554 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 2026-02-10T11:42:21,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:42:21,558 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 2026-02-10T11:42:21,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:42:21,562 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 2026-02-10T11:42:21,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f 2026-02-10T11:42:21,566 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 2026-02-10T11:42:21,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B 2026-02-10T11:42:21,570 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 2026-02-10T11:42:21,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl 2026-02-10T11:42:21,574 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 2026-02-10T11:42:21,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH 2026-02-10T11:42:21,579 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 2026-02-10T11:42:21,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76 2026-02-10T11:42:21,585 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 2026-02-10T11:42:21,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o 2026-02-10T11:42:21,590 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 2026-02-10T11:42:21,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3 2026-02-10T11:42:21,595 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 2026-02-10T11:42:21,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4 2026-02-10T11:42:21,601 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 2026-02-10T11:42:21,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts 2026-02-10T11:42:21,606 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 2026-02-10T11:42:21,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45 2026-02-10T11:42:21,612 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 2026-02-10T11:42:21,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc 2026-02-10T11:42:21,617 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 2026-02-10T11:42:21,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:42:21,623 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 2026-02-10T11:42:21,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B 2026-02-10T11:42:21,629 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 2026-02-10T11:42:21,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B 2026-02-10T11:42:21,633 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 2026-02-10T11:42:21,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2 2026-02-10T11:42:21,639 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 2026-02-10T11:42:21,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25 2026-02-10T11:42:21,644 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 2026-02-10T11:42:21,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48 2026-02-10T11:42:21,649 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 2026-02-10T11:42:21,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:42:21,654 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 2026-02-10T11:42:21,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2 2026-02-10T11:42:21,660 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 2026-02-10T11:42:21,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A 2026-02-10T11:42:21,666 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 2026-02-10T11:42:21,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:42:21,672 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+ 2026-02-10T11:42:21,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20 2026-02-10T11:42:21,676 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 2026-02-10T11:42:21,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf 2026-02-10T11:42:21,681 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 2026-02-10T11:42:21,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:42:21,685 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 2026-02-10T11:42:21,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al 2026-02-10T11:42:21,690 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 2026-02-10T11:42:21,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A 2026-02-10T11:42:21,694 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 2026-02-10T11:42:21,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:21,699 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 2026-02-10T11:42:21,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s 2026-02-10T11:42:21,704 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 2026-02-10T11:42:21,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:42:21,708 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 2026-02-10T11:42:21,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4 2026-02-10T11:42:21,711 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 2026-02-10T11:42:21,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:42:21,716 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 2026-02-10T11:42:21,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A 2026-02-10T11:42:21,721 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 2026-02-10T11:42:21,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A 2026-02-10T11:42:21,725 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 2026-02-10T11:42:21,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2 2026-02-10T11:42:21,730 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 2026-02-10T11:42:21,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:42:21,734 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 2026-02-10T11:42:21,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24 2026-02-10T11:42:21,738 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 2026-02-10T11:42:21,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:42:21,742 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 2026-02-10T11:42:21,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:42:21,747 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 2026-02-10T11:42:21,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10 2026-02-10T11:42:21,752 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 2026-02-10T11:42:21,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4 2026-02-10T11:42:21,759 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 2026-02-10T11:42:21,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:42:21,765 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+ 2026-02-10T11:42:21,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A 2026-02-10T11:42:21,771 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 2026-02-10T11:42:21,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1 2026-02-10T11:42:21,777 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 2026-02-10T11:42:21,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh 2026-02-10T11:42:21,783 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 2026-02-10T11:42:21,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3 2026-02-10T11:42:21,787 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 2026-02-10T11:42:21,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40 2026-02-10T11:42:21,791 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 2026-02-10T11:42:21,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1 2026-02-10T11:42:21,796 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 2026-02-10T11:42:21,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg 2026-02-10T11:42:21,800 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 2026-02-10T11:42:21,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80 2026-02-10T11:42:21,805 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 2026-02-10T11:42:21,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:21,809 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 2026-02-10T11:42:21,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1 2026-02-10T11:42:21,813 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 2026-02-10T11:42:21,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02 2026-02-10T11:42:21,816 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 2026-02-10T11:42:21,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a 2026-02-10T11:42:21,821 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 2026-02-10T11:42:21,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:42:21,825 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 2026-02-10T11:42:21,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2 2026-02-10T11:42:21,830 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 2026-02-10T11:42:21,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:42:21,834 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 2026-02-10T11:42:21,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar 2026-02-10T11:42:21,838 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 2026-02-10T11:42:21,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:42:21,842 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 2026-02-10T11:42:21,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58 2026-02-10T11:42:21,846 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 2026-02-10T11:42:21,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47 2026-02-10T11:42:21,850 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 2026-02-10T11:42:21,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:42:21,855 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 2026-02-10T11:42:21,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:42:21,859 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 2026-02-10T11:42:21,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:42:21,864 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 2026-02-10T11:42:21,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S 2026-02-10T11:42:21,868 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 2026-02-10T11:42:21,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14 2026-02-10T11:42:21,873 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 2026-02-10T11:42:21,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20 2026-02-10T11:42:21,876 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 2026-02-10T11:42:21,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2 2026-02-10T11:42:21,880 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 2026-02-10T11:42:21,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:21,884 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+ 2026-02-10T11:42:21,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b 2026-02-10T11:42:21,889 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 2026-02-10T11:42:21,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco 2026-02-10T11:42:21,893 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 2026-02-10T11:42:21,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3 2026-02-10T11:42:21,897 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 2026-02-10T11:42:21,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71 2026-02-10T11:42:21,901 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 2026-02-10T11:42:21,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2 2026-02-10T11:42:21,905 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 2026-02-10T11:42:21,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:42:21,909 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 2026-02-10T11:42:21,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B 2026-02-10T11:42:21,914 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 2026-02-10T11:42:21,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe 2026-02-10T11:42:21,918 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 2026-02-10T11:42:21,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf 2026-02-10T11:42:21,923 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 2026-02-10T11:42:21,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:42:21,927 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 2026-02-10T11:42:21,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2 2026-02-10T11:42:21,931 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 2026-02-10T11:42:21,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+ 2026-02-10T11:42:21,934 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+ 2026-02-10T11:42:21,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:42:21,938 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 2026-02-10T11:42:21,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:42:21,941 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 2026-02-10T11:42:21,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:21,946 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 2026-02-10T11:42:21,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21 2026-02-10T11:42:21,950 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 2026-02-10T11:42:21,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf 2026-02-10T11:42:21,954 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 2026-02-10T11:42:21,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne 2026-02-10T11:42:21,959 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 2026-02-10T11:42:21,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12 2026-02-10T11:42:21,963 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 2026-02-10T11:42:21,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr 2026-02-10T11:42:21,967 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 2026-02-10T11:42:21,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+ 2026-02-10T11:42:21,970 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+ 2026-02-10T11:42:21,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts 2026-02-10T11:42:21,974 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 2026-02-10T11:42:21,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:42:21,978 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 2026-02-10T11:42:21,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs 2026-02-10T11:42:21,982 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 2026-02-10T11:42:21,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5 2026-02-10T11:42:21,986 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 2026-02-10T11:42:21,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2 2026-02-10T11:42:21,990 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 2026-02-10T11:42:21,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O 2026-02-10T11:42:21,993 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 2026-02-10T11:42:21,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p 2026-02-10T11:42:21,997 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 2026-02-10T11:42:21,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1 2026-02-10T11:42:22,000 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 2026-02-10T11:42:22,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4 2026-02-10T11:42:22,005 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 2026-02-10T11:42:22,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s 2026-02-10T11:42:22,011 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 2026-02-10T11:42:22,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2 2026-02-10T11:42:22,015 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 2026-02-10T11:42:22,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B 2026-02-10T11:42:22,019 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 2026-02-10T11:42:22,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl 2026-02-10T11:42:22,024 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 2026-02-10T11:42:22,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm 2026-02-10T11:42:22,027 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 2026-02-10T11:42:22,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:42:22,031 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 2026-02-10T11:42:22,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k 2026-02-10T11:42:22,034 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 2026-02-10T11:42:22,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl 2026-02-10T11:42:22,037 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 2026-02-10T11:42:22,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo 2026-02-10T11:42:22,041 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 2026-02-10T11:42:22,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18 2026-02-10T11:42:22,045 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 2026-02-10T11:42:22,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A 2026-02-10T11:42:22,049 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 2026-02-10T11:42:22,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f 2026-02-10T11:42:22,053 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 2026-02-10T11:42:22,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh 2026-02-10T11:42:22,057 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 2026-02-10T11:42:22,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6 2026-02-10T11:42:22,060 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 2026-02-10T11:42:22,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2 2026-02-10T11:42:22,064 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 2026-02-10T11:42:22,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p 2026-02-10T11:42:22,067 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 2026-02-10T11:42:22,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn 2026-02-10T11:42:22,070 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 2026-02-10T11:42:22,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2 2026-02-10T11:42:22,074 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 2026-02-10T11:42:22,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots 2026-02-10T11:42:22,078 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 2026-02-10T11:42:22,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4 2026-02-10T11:42:22,081 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 2026-02-10T11:42:22,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A 2026-02-10T11:42:22,085 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 2026-02-10T11:42:22,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2 2026-02-10T11:42:22,088 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 2026-02-10T11:42:22,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B 2026-02-10T11:42:22,092 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 2026-02-10T11:42:22,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B 2026-02-10T11:42:22,095 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 2026-02-10T11:42:22,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20 2026-02-10T11:42:22,099 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 2026-02-10T11:42:22,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39 2026-02-10T11:42:22,102 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 2026-02-10T11:42:22,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59 2026-02-10T11:42:22,106 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 2026-02-10T11:42:22,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b 2026-02-10T11:42:22,111 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 2026-02-10T11:42:22,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo 2026-02-10T11:42:22,115 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 2026-02-10T11:42:22,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67 2026-02-10T11:42:22,119 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 2026-02-10T11:42:22,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh 2026-02-10T11:42:22,123 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 2026-02-10T11:42:22,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78 2026-02-10T11:42:22,127 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 2026-02-10T11:42:22,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH 2026-02-10T11:42:22,132 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 2026-02-10T11:42:22,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s 2026-02-10T11:42:22,136 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 2026-02-10T11:42:22,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13 2026-02-10T11:42:22,141 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 2026-02-10T11:42:22,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+ 2026-02-10T11:42:22,145 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+ 2026-02-10T11:42:22,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34 2026-02-10T11:42:22,150 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 2026-02-10T11:42:22,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2 2026-02-10T11:42:22,154 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 2026-02-10T11:42:22,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca 2026-02-10T11:42:22,158 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 2026-02-10T11:42:22,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr 2026-02-10T11:42:22,162 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 2026-02-10T11:42:22,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s 2026-02-10T11:42:22,166 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 2026-02-10T11:42:22,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:42:22,171 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- 2026-02-10T11:42:22,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be 2026-02-10T11:42:22,175 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 2026-02-10T11:42:22,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si 2026-02-10T11:42:22,179 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 2026-02-10T11:42:22,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2 2026-02-10T11:42:22,184 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 2026-02-10T11:42:22,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A 2026-02-10T11:42:22,188 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 2026-02-10T11:42:22,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao 2026-02-10T11:42:22,191 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 2026-02-10T11:42:22,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3 2026-02-10T11:42:22,195 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 2026-02-10T11:42:22,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:42:22,199 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 2026-02-10T11:42:22,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:42:22,204 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 2026-02-10T11:42:22,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73 2026-02-10T11:42:22,209 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 2026-02-10T11:42:22,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h 2026-02-10T11:42:22,214 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 2026-02-10T11:42:22,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+ 2026-02-10T11:42:22,218 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+ 2026-02-10T11:42:22,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC 2026-02-10T11:42:22,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104 2026-02-10T11:42:22,225 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 2026-02-10T11:42:22,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8 2026-02-10T11:42:22,229 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 2026-02-10T11:42:22,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30 2026-02-10T11:42:22,232 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 2026-02-10T11:42:22,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126 2026-02-10T11:42:22,236 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 2026-02-10T11:42:22,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33 2026-02-10T11:42:22,239 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 2026-02-10T11:42:22,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128 2026-02-10T11:42:22,243 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 2026-02-10T11:42:22,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68 2026-02-10T11:42:22,247 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 2026-02-10T11:42:22,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94 2026-02-10T11:42:22,252 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 2026-02-10T11:42:22,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45 2026-02-10T11:42:22,257 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 2026-02-10T11:42:22,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22 2026-02-10T11:42:22,260 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 2026-02-10T11:42:22,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25 2026-02-10T11:42:22,263 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 2026-02-10T11:42:22,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100 2026-02-10T11:42:22,266 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 2026-02-10T11:42:22,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23 2026-02-10T11:42:22,270 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 2026-02-10T11:42:22,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52 2026-02-10T11:42:22,274 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 2026-02-10T11:42:22,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118 2026-02-10T11:42:22,279 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 2026-02-10T11:42:22,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113 2026-02-10T11:42:22,283 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 2026-02-10T11:42:22,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24 2026-02-10T11:42:22,286 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 2026-02-10T11:42:22,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40 2026-02-10T11:42:22,290 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 2026-02-10T11:42:22,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57 2026-02-10T11:42:22,293 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 2026-02-10T11:42:22,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106 2026-02-10T11:42:22,298 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 2026-02-10T11:42:22,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88 2026-02-10T11:42:22,301 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 2026-02-10T11:42:22,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58 2026-02-10T11:42:22,305 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 2026-02-10T11:42:22,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47 2026-02-10T11:42:22,309 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 2026-02-10T11:42:22,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14 2026-02-10T11:42:22,313 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 2026-02-10T11:42:22,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66 2026-02-10T11:42:22,317 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 2026-02-10T11:42:22,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51 2026-02-10T11:42:22,321 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 2026-02-10T11:42:22,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32 2026-02-10T11:42:22,325 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 2026-02-10T11:42:22,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117 2026-02-10T11:42:22,329 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 2026-02-10T11:42:22,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56 2026-02-10T11:42:22,332 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 2026-02-10T11:42:22,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21 2026-02-10T11:42:22,336 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 2026-02-10T11:42:22,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61 2026-02-10T11:42:22,339 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 2026-02-10T11:42:22,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67 2026-02-10T11:42:22,343 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 2026-02-10T11:42:22,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11 2026-02-10T11:42:22,346 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 2026-02-10T11:42:22,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82 2026-02-10T11:42:22,350 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 2026-02-10T11:42:22,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1 2026-02-10T11:42:22,355 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 2026-02-10T11:42:22,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97 2026-02-10T11:42:22,358 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 2026-02-10T11:42:22,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60 2026-02-10T11:42:22,362 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 2026-02-10T11:42:22,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121 2026-02-10T11:42:22,365 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 2026-02-10T11:42:22,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18 2026-02-10T11:42:22,369 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 2026-02-10T11:42:22,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6 2026-02-10T11:42:22,373 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 2026-02-10T11:42:22,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62 2026-02-10T11:42:22,378 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 2026-02-10T11:42:22,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26 2026-02-10T11:42:22,384 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 2026-02-10T11:42:22,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39 2026-02-10T11:42:22,389 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 2026-02-10T11:42:22,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59 2026-02-10T11:42:22,394 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 2026-02-10T11:42:22,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13 2026-02-10T11:42:22,399 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 2026-02-10T11:42:22,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34 2026-02-10T11:42:22,404 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 2026-02-10T11:42:22,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73 2026-02-10T11:42:22,409 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 2026-02-10T11:42:22,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11 2026-02-10T11:42:22,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:42:22,416 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 2026-02-10T11:42:22,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br 2026-02-10T11:42:22,421 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 2026-02-10T11:42:22,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:42:22,425 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 2026-02-10T11:42:22,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:42:22,429 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 2026-02-10T11:42:22,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:42:22,434 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 2026-02-10T11:42:22,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:42:22,439 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 2026-02-10T11:42:22,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:42:22,444 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 2026-02-10T11:42:22,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:42:22,449 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 2026-02-10T11:42:22,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:42:22,454 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 2026-02-10T11:42:22,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:42:22,459 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 2026-02-10T11:42:22,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:42:22,464 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 2026-02-10T11:42:22,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:42:22,468 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 2026-02-10T11:42:22,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:42:22,473 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 2026-02-10T11:42:22,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:42:22,478 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 2026-02-10T11:42:22,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:42:22,483 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 2026-02-10T11:42:22,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:42:22,487 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 2026-02-10T11:42:22,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:42:22,491 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 2026-02-10T11:42:22,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:42:22,495 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 2026-02-10T11:42:22,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:42:22,500 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 2026-02-10T11:42:22,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:42:22,504 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 2026-02-10T11:42:22,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:42:22,509 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 2026-02-10T11:42:22,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:42:22,513 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 2026-02-10T11:42:22,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27 2026-02-10T11:42:22,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op 2026-02-10T11:42:22,520 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 2026-02-10T11:42:22,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:42:22,523 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 2026-02-10T11:42:22,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:42:22,527 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 2026-02-10T11:42:22,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:42:22,532 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 2026-02-10T11:42:22,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:42:22,536 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 2026-02-10T11:42:22,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:42:22,541 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 2026-02-10T11:42:22,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:42:22,545 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 2026-02-10T11:42:22,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3 2026-02-10T11:42:22,549 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 2026-02-10T11:42:22,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:42:22,554 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 2026-02-10T11:42:22,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6 2026-02-10T11:42:22,557 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 2026-02-10T11:42:22,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:42:22,562 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 2026-02-10T11:42:22,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b 2026-02-10T11:42:22,566 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 2026-02-10T11:42:22,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20 2026-02-10T11:42:22,571 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 2026-02-10T11:42:22,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:42:22,575 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 2026-02-10T11:42:22,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:42:22,580 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 2026-02-10T11:42:22,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:42:22,586 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 2026-02-10T11:42:22,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c 2026-02-10T11:42:22,590 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 2026-02-10T11:42:22,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:42:22,593 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 2026-02-10T11:42:22,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:42:22,597 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 2026-02-10T11:42:22,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es 2026-02-10T11:42:22,600 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 2026-02-10T11:42:22,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:42:22,604 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 2026-02-10T11:42:22,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O 2026-02-10T11:42:22,607 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 2026-02-10T11:42:22,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm 2026-02-10T11:42:22,611 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 2026-02-10T11:42:22,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:42:22,614 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 2026-02-10T11:42:22,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4 2026-02-10T11:42:22,618 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 2026-02-10T11:42:22,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2 2026-02-10T11:42:22,622 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 2026-02-10T11:42:22,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:42:22,626 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 2026-02-10T11:42:22,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:42:22,630 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 2026-02-10T11:42:22,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5 2026-02-10T11:42:22,634 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 2026-02-10T11:42:22,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:42:22,638 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 2026-02-10T11:42:22,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59 2026-02-10T11:42:22,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:22,644 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 2026-02-10T11:42:22,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:42:22,648 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 2026-02-10T11:42:22,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:22,651 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 2026-02-10T11:42:22,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:42:22,654 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 2026-02-10T11:42:22,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:42:22,658 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 2026-02-10T11:42:22,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:42:22,662 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 2026-02-10T11:42:22,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:42:22,665 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 2026-02-10T11:42:22,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:22,668 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 2026-02-10T11:42:22,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:22,672 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 2026-02-10T11:42:22,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI 2026-02-10T11:42:22,675 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 2026-02-10T11:42:22,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:42:22,679 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 2026-02-10T11:42:22,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:22,684 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 2026-02-10T11:42:22,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:42:22,688 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 2026-02-10T11:42:22,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH 2026-02-10T11:42:22,692 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 2026-02-10T11:42:22,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:42:22,696 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 2026-02-10T11:42:22,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:42:22,699 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 2026-02-10T11:42:22,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:22,703 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 2026-02-10T11:42:22,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:42:22,707 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 2026-02-10T11:42:22,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:22,710 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 2026-02-10T11:42:22,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:22,714 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 2026-02-10T11:42:22,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:42:22,719 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 2026-02-10T11:42:22,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:42:22,723 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 2026-02-10T11:42:22,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:22,728 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 2026-02-10T11:42:22,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:22,732 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 2026-02-10T11:42:22,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:22,736 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 2026-02-10T11:42:22,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr 2026-02-10T11:42:22,740 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 2026-02-10T11:42:22,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:22,745 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 2026-02-10T11:42:22,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:22,749 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 2026-02-10T11:42:22,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:42:22,753 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 2026-02-10T11:42:22,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:22,758 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 2026-02-10T11:42:22,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:22,762 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 2026-02-10T11:42:22,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:22,767 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 2026-02-10T11:42:22,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:42:22,771 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 2026-02-10T11:42:22,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:22,776 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 2026-02-10T11:42:22,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:22,780 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 2026-02-10T11:42:22,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:22,784 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 2026-02-10T11:42:22,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:22,789 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 2026-02-10T11:42:22,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:42:22,793 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 2026-02-10T11:42:22,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:42:22,797 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 2026-02-10T11:42:22,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:42:22,801 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 2026-02-10T11:42:22,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:22,806 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 2026-02-10T11:42:22,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI 2026-02-10T11:42:22,810 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 2026-02-10T11:42:22,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:22,815 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 2026-02-10T11:42:22,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:22,819 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 2026-02-10T11:42:22,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr 2026-02-10T11:42:22,823 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 2026-02-10T11:42:22,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:42:22,827 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 2026-02-10T11:42:22,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI 2026-02-10T11:42:22,831 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 2026-02-10T11:42:22,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:22,834 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 2026-02-10T11:42:22,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:22,839 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 2026-02-10T11:42:22,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:22,843 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 2026-02-10T11:42:22,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:42:22,847 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 2026-02-10T11:42:22,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:22,851 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 2026-02-10T11:42:22,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:22,854 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 2026-02-10T11:42:22,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:22,859 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 2026-02-10T11:42:22,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:22,862 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 2026-02-10T11:42:22,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:42:22,865 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 2026-02-10T11:42:22,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS 2026-02-10T11:42:22,869 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 2026-02-10T11:42:22,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:22,874 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 2026-02-10T11:42:22,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:42:22,877 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 2026-02-10T11:42:22,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:22,881 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 2026-02-10T11:42:22,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl 2026-02-10T11:42:22,885 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 2026-02-10T11:42:22,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:42:22,889 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 2026-02-10T11:42:22,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:42:22,892 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 2026-02-10T11:42:22,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:22,896 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 2026-02-10T11:42:22,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:42:22,900 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 2026-02-10T11:42:22,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:42:22,905 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 2026-02-10T11:42:22,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:42:22,909 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 2026-02-10T11:42:22,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:42:22,912 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 2026-02-10T11:42:22,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:22,916 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 2026-02-10T11:42:22,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:42:22,920 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 2026-02-10T11:42:22,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:42:22,925 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 2026-02-10T11:42:22,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:22,929 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 2026-02-10T11:42:22,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:22,932 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 2026-02-10T11:42:22,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:42:22,936 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 2026-02-10T11:42:22,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:22,940 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 2026-02-10T11:42:22,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:42:22,943 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 2026-02-10T11:42:22,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:42:22,948 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 2026-02-10T11:42:22,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:42:22,953 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 2026-02-10T11:42:22,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:42:22,957 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 2026-02-10T11:42:22,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:22,962 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 2026-02-10T11:42:22,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:42:22,965 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 2026-02-10T11:42:22,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:22,969 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 2026-02-10T11:42:22,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:22,973 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 2026-02-10T11:42:22,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:42:22,976 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 2026-02-10T11:42:22,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:42:22,980 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 2026-02-10T11:42:22,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:22,983 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 2026-02-10T11:42:22,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:22,987 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 2026-02-10T11:42:22,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:22,991 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 2026-02-10T11:42:22,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:22,996 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 2026-02-10T11:42:22,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3 2026-02-10T11:42:22,999 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 2026-02-10T11:42:23,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:42:23,004 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 2026-02-10T11:42:23,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:42:23,007 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 2026-02-10T11:42:23,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH 2026-02-10T11:42:23,011 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 2026-02-10T11:42:23,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:42:23,015 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 2026-02-10T11:42:23,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS 2026-02-10T11:42:23,018 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 2026-02-10T11:42:23,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:23,022 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 2026-02-10T11:42:23,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:23,026 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 2026-02-10T11:42:23,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:23,029 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 2026-02-10T11:42:23,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe 2026-02-10T11:42:23,033 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 2026-02-10T11:42:23,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:42:23,037 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 2026-02-10T11:42:23,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:23,040 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 2026-02-10T11:42:23,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:23,044 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 2026-02-10T11:42:23,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:23,047 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 2026-02-10T11:42:23,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:23,051 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 2026-02-10T11:42:23,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:23,055 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 2026-02-10T11:42:23,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12 2026-02-10T11:42:23,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:42:23,062 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 2026-02-10T11:42:23,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O 2026-02-10T11:42:23,066 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 2026-02-10T11:42:23,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:42:23,071 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 2026-02-10T11:42:23,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:23,074 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 2026-02-10T11:42:23,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:42:23,077 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 2026-02-10T11:42:23,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:42:23,081 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 2026-02-10T11:42:23,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:42:23,084 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 2026-02-10T11:42:23,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:42:23,088 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 2026-02-10T11:42:23,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O 2026-02-10T11:42:23,091 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 2026-02-10T11:42:23,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:42:23,095 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 2026-02-10T11:42:23,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:42:23,099 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 2026-02-10T11:42:23,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:42:23,103 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 2026-02-10T11:42:23,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:42:23,107 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 2026-02-10T11:42:23,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:42:23,111 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 2026-02-10T11:42:23,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:42:23,115 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 2026-02-10T11:42:23,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:42:23,119 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 2026-02-10T11:42:23,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O 2026-02-10T11:42:23,123 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 2026-02-10T11:42:23,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N 2026-02-10T11:42:23,127 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 2026-02-10T11:42:23,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL 2026-02-10T11:42:23,131 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 2026-02-10T11:42:23,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:42:23,135 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 2026-02-10T11:42:23,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:42:23,139 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 2026-02-10T11:42:23,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:42:23,142 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 2026-02-10T11:42:23,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL 2026-02-10T11:42:23,146 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 2026-02-10T11:42:23,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N 2026-02-10T11:42:23,149 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 2026-02-10T11:42:23,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:42:23,153 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 2026-02-10T11:42:23,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:42:23,156 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 2026-02-10T11:42:23,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:42:23,160 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 2026-02-10T11:42:23,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL 2026-02-10T11:42:23,164 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 2026-02-10T11:42:23,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:42:23,167 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 2026-02-10T11:42:23,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N 2026-02-10T11:42:23,171 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 2026-02-10T11:42:23,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:42:23,176 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 2026-02-10T11:42:23,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:42:23,180 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 2026-02-10T11:42:23,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL 2026-02-10T11:42:23,184 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 2026-02-10T11:42:23,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N 2026-02-10T11:42:23,190 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 2026-02-10T11:42:23,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O 2026-02-10T11:42:23,195 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 2026-02-10T11:42:23,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:42:23,199 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 2026-02-10T11:42:23,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16 2026-02-10T11:42:23,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A 2026-02-10T11:42:23,206 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 2026-02-10T11:42:23,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229 2026-02-10T11:42:23,210 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 2026-02-10T11:42:23,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B 2026-02-10T11:42:23,214 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 2026-02-10T11:42:23,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A 2026-02-10T11:42:23,220 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 2026-02-10T11:42:23,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B 2026-02-10T11:42:23,225 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 2026-02-10T11:42:23,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B 2026-02-10T11:42:23,229 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 2026-02-10T11:42:23,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B 2026-02-10T11:42:23,233 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 2026-02-10T11:42:23,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202 2026-02-10T11:42:23,238 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 2026-02-10T11:42:23,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148 2026-02-10T11:42:23,244 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 2026-02-10T11:42:23,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A 2026-02-10T11:42:23,250 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 2026-02-10T11:42:23,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008 2026-02-10T11:42:23,255 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 2026-02-10T11:42:23,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147 2026-02-10T11:42:23,260 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 2026-02-10T11:42:23,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B 2026-02-10T11:42:23,266 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 2026-02-10T11:42:23,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227 2026-02-10T11:42:23,272 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 2026-02-10T11:42:23,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B 2026-02-10T11:42:23,277 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 2026-02-10T11:42:23,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A 2026-02-10T11:42:23,283 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 2026-02-10T11:42:23,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A 2026-02-10T11:42:23,290 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 2026-02-10T11:42:23,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B 2026-02-10T11:42:23,295 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 2026-02-10T11:42:23,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214 2026-02-10T11:42:23,302 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 2026-02-10T11:42:23,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A 2026-02-10T11:42:23,308 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 2026-02-10T11:42:23,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A 2026-02-10T11:42:23,315 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 2026-02-10T11:42:23,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B 2026-02-10T11:42:23,321 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 2026-02-10T11:42:23,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213 2026-02-10T11:42:23,327 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 2026-02-10T11:42:23,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B 2026-02-10T11:42:23,333 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 2026-02-10T11:42:23,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152 2026-02-10T11:42:23,338 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 2026-02-10T11:42:23,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B 2026-02-10T11:42:23,344 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 2026-02-10T11:42:23,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A 2026-02-10T11:42:23,350 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 2026-02-10T11:42:23,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150 2026-02-10T11:42:23,355 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 2026-02-10T11:42:23,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B 2026-02-10T11:42:23,361 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 2026-02-10T11:42:23,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A 2026-02-10T11:42:23,367 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 2026-02-10T11:42:23,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230 2026-02-10T11:42:23,373 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 2026-02-10T11:42:23,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231 2026-02-10T11:42:23,377 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 2026-02-10T11:42:23,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A 2026-02-10T11:42:23,383 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 2026-02-10T11:42:23,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187 2026-02-10T11:42:23,388 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 2026-02-10T11:42:23,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A 2026-02-10T11:42:23,392 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 2026-02-10T11:42:23,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212 2026-02-10T11:42:23,397 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 2026-02-10T11:42:23,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B 2026-02-10T11:42:23,402 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 2026-02-10T11:42:23,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B 2026-02-10T11:42:23,406 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 2026-02-10T11:42:23,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B 2026-02-10T11:42:23,409 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 2026-02-10T11:42:23,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A 2026-02-10T11:42:23,413 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 2026-02-10T11:42:23,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B 2026-02-10T11:42:23,418 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 2026-02-10T11:42:23,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A 2026-02-10T11:42:23,423 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 2026-02-10T11:42:23,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228 2026-02-10T11:42:23,428 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 2026-02-10T11:42:23,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A 2026-02-10T11:42:23,434 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 2026-02-10T11:42:23,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A 2026-02-10T11:42:23,441 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 2026-02-10T11:42:23,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144 2026-02-10T11:42:23,448 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 2026-02-10T11:42:23,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B 2026-02-10T11:42:23,453 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 2026-02-10T11:42:23,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A 2026-02-10T11:42:23,456 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 2026-02-10T11:42:23,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18 2026-02-10T11:42:23,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2 2026-02-10T11:42:23,462 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 2026-02-10T11:42:23,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr 2026-02-10T11:42:23,466 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 2026-02-10T11:42:23,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3 2026-02-10T11:42:23,470 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 2026-02-10T11:42:23,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6 2026-02-10T11:42:23,474 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 2026-02-10T11:42:23,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf 2026-02-10T11:42:23,478 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 2026-02-10T11:42:23,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:42:23,482 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 2026-02-10T11:42:23,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2 2026-02-10T11:42:23,486 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 2026-02-10T11:42:23,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr 2026-02-10T11:42:23,491 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 2026-02-10T11:42:23,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:42:23,496 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 2026-02-10T11:42:23,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4 2026-02-10T11:42:23,500 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 2026-02-10T11:42:23,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3 2026-02-10T11:42:23,505 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 2026-02-10T11:42:23,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar 2026-02-10T11:42:23,509 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 2026-02-10T11:42:23,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz 2026-02-10T11:42:23,513 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 2026-02-10T11:42:23,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr 2026-02-10T11:42:23,517 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 2026-02-10T11:42:23,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6 2026-02-10T11:42:23,521 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 2026-02-10T11:42:23,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:42:23,525 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 2026-02-10T11:42:23,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe 2026-02-10T11:42:23,529 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 2026-02-10T11:42:23,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2 2026-02-10T11:42:23,533 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 2026-02-10T11:42:23,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3 2026-02-10T11:42:23,536 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 2026-02-10T11:42:23,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne 2026-02-10T11:42:23,540 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 2026-02-10T11:42:23,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr 2026-02-10T11:42:23,543 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 2026-02-10T11:42:23,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4 2026-02-10T11:42:23,547 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 2026-02-10T11:42:23,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe 2026-02-10T11:42:23,550 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 2026-02-10T11:42:23,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:42:23,554 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 2026-02-10T11:42:23,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2 2026-02-10T11:42:23,559 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 2026-02-10T11:42:23,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO 2026-02-10T11:42:23,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8 2026-02-10T11:42:23,565 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 2026-02-10T11:42:23,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9 2026-02-10T11:42:23,570 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 2026-02-10T11:42:23,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4 2026-02-10T11:42:23,574 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 2026-02-10T11:42:23,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3 2026-02-10T11:42:23,579 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 2026-02-10T11:42:23,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2 2026-02-10T11:42:23,583 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 2026-02-10T11:42:23,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7 2026-02-10T11:42:23,587 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 2026-02-10T11:42:23,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5 2026-02-10T11:42:23,591 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 2026-02-10T11:42:23,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1 2026-02-10T11:42:23,595 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 2026-02-10T11:42:23,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6 2026-02-10T11:42:23,600 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 2026-02-10T11:42:23,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10 2026-02-10T11:42:23,604 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 2026-02-10T11:42:23,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66 2026-02-10T11:42:23,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A 2026-02-10T11:42:23,613 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 2026-02-10T11:42:23,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B 2026-02-10T11:42:23,617 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 2026-02-10T11:42:23,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B 2026-02-10T11:42:23,621 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 2026-02-10T11:42:23,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30 2026-02-10T11:42:23,625 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 2026-02-10T11:42:23,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43 2026-02-10T11:42:23,630 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 2026-02-10T11:42:23,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B 2026-02-10T11:42:23,634 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 2026-02-10T11:42:23,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A 2026-02-10T11:42:23,639 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 2026-02-10T11:42:23,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B 2026-02-10T11:42:23,644 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 2026-02-10T11:42:23,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A 2026-02-10T11:42:23,648 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 2026-02-10T11:42:23,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A 2026-02-10T11:42:23,652 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 2026-02-10T11:42:23,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B 2026-02-10T11:42:23,657 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 2026-02-10T11:42:23,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B 2026-02-10T11:42:23,662 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 2026-02-10T11:42:23,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19 2026-02-10T11:42:23,666 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 2026-02-10T11:42:23,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33 2026-02-10T11:42:23,671 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 2026-02-10T11:42:23,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B 2026-02-10T11:42:23,674 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 2026-02-10T11:42:23,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A 2026-02-10T11:42:23,678 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 2026-02-10T11:42:23,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A 2026-02-10T11:42:23,682 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 2026-02-10T11:42:23,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16 2026-02-10T11:42:23,686 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 2026-02-10T11:42:23,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B 2026-02-10T11:42:23,691 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 2026-02-10T11:42:23,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B 2026-02-10T11:42:23,696 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 2026-02-10T11:42:23,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B 2026-02-10T11:42:23,700 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 2026-02-10T11:42:23,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B 2026-02-10T11:42:23,705 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 2026-02-10T11:42:23,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42 2026-02-10T11:42:23,709 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 2026-02-10T11:42:23,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41 2026-02-10T11:42:23,714 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 2026-02-10T11:42:23,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A 2026-02-10T11:42:23,718 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 2026-02-10T11:42:23,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45 2026-02-10T11:42:23,723 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 2026-02-10T11:42:23,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22 2026-02-10T11:42:23,727 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 2026-02-10T11:42:23,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28 2026-02-10T11:42:23,732 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 2026-02-10T11:42:23,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B 2026-02-10T11:42:23,736 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 2026-02-10T11:42:23,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B 2026-02-10T11:42:23,741 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 2026-02-10T11:42:23,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A 2026-02-10T11:42:23,746 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 2026-02-10T11:42:23,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36 2026-02-10T11:42:23,750 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 2026-02-10T11:42:23,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25 2026-02-10T11:42:23,755 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 2026-02-10T11:42:23,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A 2026-02-10T11:42:23,759 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 2026-02-10T11:42:23,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12 2026-02-10T11:42:23,764 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 2026-02-10T11:42:23,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23 2026-02-10T11:42:23,769 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 2026-02-10T11:42:23,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48 2026-02-10T11:42:23,775 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 2026-02-10T11:42:23,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B 2026-02-10T11:42:23,999 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 2026-02-10T11:42:24,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A 2026-02-10T11:42:24,002 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 2026-02-10T11:42:24,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B 2026-02-10T11:42:24,007 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 2026-02-10T11:42:24,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A 2026-02-10T11:42:24,011 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 2026-02-10T11:42:24,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52 2026-02-10T11:42:24,016 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 2026-02-10T11:42:24,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B 2026-02-10T11:42:24,020 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 2026-02-10T11:42:24,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B 2026-02-10T11:42:24,024 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 2026-02-10T11:42:24,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A 2026-02-10T11:42:24,029 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 2026-02-10T11:42:24,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A 2026-02-10T11:42:24,033 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 2026-02-10T11:42:24,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A 2026-02-10T11:42:24,037 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 2026-02-10T11:42:24,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B 2026-02-10T11:42:24,040 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 2026-02-10T11:42:24,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49 2026-02-10T11:42:24,044 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 2026-02-10T11:42:24,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20 2026-02-10T11:42:24,049 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 2026-02-10T11:42:24,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A 2026-02-10T11:42:24,053 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 2026-02-10T11:42:24,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A 2026-02-10T11:42:24,057 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 2026-02-10T11:42:24,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B 2026-02-10T11:42:24,061 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 2026-02-10T11:42:24,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B 2026-02-10T11:42:24,064 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 2026-02-10T11:42:24,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A 2026-02-10T11:42:24,067 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 2026-02-10T11:42:24,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A 2026-02-10T11:42:24,071 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 2026-02-10T11:42:24,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24 2026-02-10T11:42:24,074 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 2026-02-10T11:42:24,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A 2026-02-10T11:42:24,078 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 2026-02-10T11:42:24,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55 2026-02-10T11:42:24,081 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 2026-02-10T11:42:24,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B 2026-02-10T11:42:24,085 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 2026-02-10T11:42:24,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53 2026-02-10T11:42:24,090 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 2026-02-10T11:42:24,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B 2026-02-10T11:42:24,095 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 2026-02-10T11:42:24,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B 2026-02-10T11:42:24,101 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 2026-02-10T11:42:24,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04 2026-02-10T11:42:24,106 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 2026-02-10T11:42:24,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54 2026-02-10T11:42:24,112 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 2026-02-10T11:42:24,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B 2026-02-10T11:42:24,117 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 2026-02-10T11:42:24,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B 2026-02-10T11:42:24,123 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 2026-02-10T11:42:24,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B 2026-02-10T11:42:24,128 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 2026-02-10T11:42:24,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A 2026-02-10T11:42:24,134 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 2026-02-10T11:42:24,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A 2026-02-10T11:42:24,139 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 2026-02-10T11:42:24,143 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40 2026-02-10T11:42:24,145 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 2026-02-10T11:42:24,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A 2026-02-10T11:42:24,150 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 2026-02-10T11:42:24,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B 2026-02-10T11:42:24,155 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 2026-02-10T11:42:24,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B 2026-02-10T11:42:24,160 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 2026-02-10T11:42:24,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57 2026-02-10T11:42:24,165 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 2026-02-10T11:42:24,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B 2026-02-10T11:42:24,169 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 2026-02-10T11:42:24,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A 2026-02-10T11:42:24,175 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 2026-02-10T11:42:24,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B 2026-02-10T11:42:24,180 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 2026-02-10T11:42:24,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A 2026-02-10T11:42:24,186 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 2026-02-10T11:42:24,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09 2026-02-10T11:42:24,191 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 2026-02-10T11:42:24,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A 2026-02-10T11:42:24,195 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 2026-02-10T11:42:24,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A 2026-02-10T11:42:24,199 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 2026-02-10T11:42:24,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A 2026-02-10T11:42:24,204 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 2026-02-10T11:42:24,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A 2026-02-10T11:42:24,207 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 2026-02-10T11:42:24,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A 2026-02-10T11:42:24,211 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 2026-02-10T11:42:24,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B 2026-02-10T11:42:24,214 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 2026-02-10T11:42:24,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B 2026-02-10T11:42:24,218 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 2026-02-10T11:42:24,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A 2026-02-10T11:42:24,221 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 2026-02-10T11:42:24,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58 2026-02-10T11:42:24,225 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 2026-02-10T11:42:24,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47 2026-02-10T11:42:24,229 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 2026-02-10T11:42:24,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06 2026-02-10T11:42:24,233 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 2026-02-10T11:42:24,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A 2026-02-10T11:42:24,237 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 2026-02-10T11:42:24,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A 2026-02-10T11:42:24,242 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 2026-02-10T11:42:24,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B 2026-02-10T11:42:24,246 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 2026-02-10T11:42:24,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A 2026-02-10T11:42:24,250 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 2026-02-10T11:42:24,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B 2026-02-10T11:42:24,255 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 2026-02-10T11:42:24,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A 2026-02-10T11:42:24,259 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 2026-02-10T11:42:24,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14 2026-02-10T11:42:24,263 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 2026-02-10T11:42:24,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66 2026-02-10T11:42:24,266 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 2026-02-10T11:42:24,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51 2026-02-10T11:42:24,270 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 2026-02-10T11:42:24,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50 2026-02-10T11:42:24,274 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 2026-02-10T11:42:24,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A 2026-02-10T11:42:24,278 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 2026-02-10T11:42:24,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03 2026-02-10T11:42:24,281 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 2026-02-10T11:42:24,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A 2026-02-10T11:42:24,285 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 2026-02-10T11:42:24,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A 2026-02-10T11:42:24,289 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 2026-02-10T11:42:24,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A 2026-02-10T11:42:24,293 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 2026-02-10T11:42:24,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B 2026-02-10T11:42:24,298 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 2026-02-10T11:42:24,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B 2026-02-10T11:42:24,301 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 2026-02-10T11:42:24,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44 2026-02-10T11:42:24,306 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 2026-02-10T11:42:24,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35 2026-02-10T11:42:24,310 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 2026-02-10T11:42:24,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32 2026-02-10T11:42:24,315 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 2026-02-10T11:42:24,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B 2026-02-10T11:42:24,319 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 2026-02-10T11:42:24,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56 2026-02-10T11:42:24,323 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 2026-02-10T11:42:24,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A 2026-02-10T11:42:24,326 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 2026-02-10T11:42:24,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21 2026-02-10T11:42:24,330 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 2026-02-10T11:42:24,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A 2026-02-10T11:42:24,335 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 2026-02-10T11:42:24,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B 2026-02-10T11:42:24,339 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 2026-02-10T11:42:24,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B 2026-02-10T11:42:24,343 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 2026-02-10T11:42:24,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61 2026-02-10T11:42:24,347 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 2026-02-10T11:42:24,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A 2026-02-10T11:42:24,351 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 2026-02-10T11:42:24,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B 2026-02-10T11:42:24,354 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 2026-02-10T11:42:24,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B 2026-02-10T11:42:24,358 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 2026-02-10T11:42:24,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01 2026-02-10T11:42:24,363 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 2026-02-10T11:42:24,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08 2026-02-10T11:42:24,366 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 2026-02-10T11:42:24,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B 2026-02-10T11:42:24,370 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 2026-02-10T11:42:24,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37 2026-02-10T11:42:24,374 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 2026-02-10T11:42:24,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A 2026-02-10T11:42:24,379 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 2026-02-10T11:42:24,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11 2026-02-10T11:42:24,383 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 2026-02-10T11:42:24,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B 2026-02-10T11:42:24,387 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 2026-02-10T11:42:24,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B 2026-02-10T11:42:24,391 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 2026-02-10T11:42:24,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A 2026-02-10T11:42:24,395 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 2026-02-10T11:42:24,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A 2026-02-10T11:42:24,399 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 2026-02-10T11:42:24,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A 2026-02-10T11:42:24,403 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 2026-02-10T11:42:24,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A 2026-02-10T11:42:24,408 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 2026-02-10T11:42:24,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B 2026-02-10T11:42:24,411 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 2026-02-10T11:42:24,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A 2026-02-10T11:42:24,416 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 2026-02-10T11:42:24,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B 2026-02-10T11:42:24,420 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 2026-02-10T11:42:24,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38 2026-02-10T11:42:24,425 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 2026-02-10T11:42:24,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A 2026-02-10T11:42:24,429 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 2026-02-10T11:42:24,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A 2026-02-10T11:42:24,434 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 2026-02-10T11:42:24,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B 2026-02-10T11:42:24,438 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 2026-02-10T11:42:24,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A 2026-02-10T11:42:24,443 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 2026-02-10T11:42:24,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46 2026-02-10T11:42:24,446 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 2026-02-10T11:42:24,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07 2026-02-10T11:42:24,450 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 2026-02-10T11:42:24,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B 2026-02-10T11:42:24,455 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 2026-02-10T11:42:24,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A 2026-02-10T11:42:24,459 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 2026-02-10T11:42:24,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29 2026-02-10T11:42:24,464 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 2026-02-10T11:42:24,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B 2026-02-10T11:42:24,468 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 2026-02-10T11:42:24,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B 2026-02-10T11:42:24,473 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 2026-02-10T11:42:24,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60 2026-02-10T11:42:24,476 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 2026-02-10T11:42:24,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A 2026-02-10T11:42:24,480 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 2026-02-10T11:42:24,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A 2026-02-10T11:42:24,485 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 2026-02-10T11:42:24,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63 2026-02-10T11:42:24,490 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 2026-02-10T11:42:24,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B 2026-02-10T11:42:24,495 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 2026-02-10T11:42:24,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B 2026-02-10T11:42:24,499 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 2026-02-10T11:42:24,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A 2026-02-10T11:42:24,504 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 2026-02-10T11:42:24,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A 2026-02-10T11:42:24,508 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 2026-02-10T11:42:24,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64 2026-02-10T11:42:24,511 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 2026-02-10T11:42:24,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18 2026-02-10T11:42:24,515 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 2026-02-10T11:42:24,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A 2026-02-10T11:42:24,518 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 2026-02-10T11:42:24,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17 2026-02-10T11:42:24,522 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 2026-02-10T11:42:24,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B 2026-02-10T11:42:24,525 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 2026-02-10T11:42:24,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62 2026-02-10T11:42:24,529 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 2026-02-10T11:42:24,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A 2026-02-10T11:42:24,533 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 2026-02-10T11:42:24,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26 2026-02-10T11:42:24,537 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 2026-02-10T11:42:24,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B 2026-02-10T11:42:24,541 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 2026-02-10T11:42:24,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B 2026-02-10T11:42:24,545 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 2026-02-10T11:42:24,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B 2026-02-10T11:42:24,549 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 2026-02-10T11:42:24,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10 2026-02-10T11:42:24,553 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 2026-02-10T11:42:24,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39 2026-02-10T11:42:24,557 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 2026-02-10T11:42:24,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59 2026-02-10T11:42:24,562 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 2026-02-10T11:42:24,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05 2026-02-10T11:42:24,567 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 2026-02-10T11:42:24,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A 2026-02-10T11:42:24,572 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 2026-02-10T11:42:24,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A 2026-02-10T11:42:24,577 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 2026-02-10T11:42:24,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B 2026-02-10T11:42:24,582 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 2026-02-10T11:42:24,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B 2026-02-10T11:42:24,586 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 2026-02-10T11:42:24,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B 2026-02-10T11:42:24,592 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 2026-02-10T11:42:24,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02 2026-02-10T11:42:24,597 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 2026-02-10T11:42:24,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65 2026-02-10T11:42:24,604 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 2026-02-10T11:42:24,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13 2026-02-10T11:42:24,609 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 2026-02-10T11:42:24,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A 2026-02-10T11:42:24,613 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 2026-02-10T11:42:24,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B 2026-02-10T11:42:24,619 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 2026-02-10T11:42:24,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34 2026-02-10T11:42:24,624 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 2026-02-10T11:42:24,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15 2026-02-10T11:42:24,630 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 2026-02-10T11:42:24,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27 2026-02-10T11:42:24,635 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 2026-02-10T11:42:24,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A 2026-02-10T11:42:24,640 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 2026-02-10T11:42:24,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A 2026-02-10T11:42:24,645 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 2026-02-10T11:42:24,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B 2026-02-10T11:42:24,649 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 2026-02-10T11:42:24,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A 2026-02-10T11:42:24,653 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 2026-02-10T11:42:24,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B 2026-02-10T11:42:24,657 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 2026-02-10T11:42:24,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A 2026-02-10T11:42:24,661 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 2026-02-10T11:42:24,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B 2026-02-10T11:42:24,666 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 2026-02-10T11:42:24,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A 2026-02-10T11:42:24,671 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 2026-02-10T11:42:24,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B 2026-02-10T11:42:24,676 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 2026-02-10T11:42:24,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A 2026-02-10T11:42:24,682 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 2026-02-10T11:42:24,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B 2026-02-10T11:42:24,687 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 2026-02-10T11:42:24,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B 2026-02-10T11:42:24,693 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 2026-02-10T11:42:24,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31 2026-02-10T11:42:24,698 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 2026-02-10T11:42:24,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51 2026-02-10T11:42:24,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:24,706 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 2026-02-10T11:42:24,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:24,710 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 2026-02-10T11:42:24,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:24,714 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 2026-02-10T11:42:24,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:24,717 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 2026-02-10T11:42:24,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:24,721 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 2026-02-10T11:42:24,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene 2026-02-10T11:42:24,725 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 2026-02-10T11:42:24,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:42:24,730 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 2026-02-10T11:42:24,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:24,734 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 2026-02-10T11:42:24,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:24,738 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 2026-02-10T11:42:24,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:24,743 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 2026-02-10T11:42:24,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:24,746 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 2026-02-10T11:42:24,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:24,751 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 2026-02-10T11:42:24,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:24,755 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 2026-02-10T11:42:24,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:24,759 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 2026-02-10T11:42:24,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:24,763 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 2026-02-10T11:42:24,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:24,768 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 2026-02-10T11:42:24,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:24,772 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 2026-02-10T11:42:24,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:24,778 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 2026-02-10T11:42:24,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:24,783 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 2026-02-10T11:42:24,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl 2026-02-10T11:42:24,788 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 2026-02-10T11:42:24,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol 2026-02-10T11:42:24,793 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 2026-02-10T11:42:24,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:42:24,799 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 2026-02-10T11:42:24,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2 2026-02-10T11:42:24,803 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 2026-02-10T11:42:24,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:24,808 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 2026-02-10T11:42:24,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:42:24,812 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 2026-02-10T11:42:24,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:24,816 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 2026-02-10T11:42:24,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO 2026-02-10T11:42:24,821 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 2026-02-10T11:42:24,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:24,825 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 2026-02-10T11:42:24,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:24,829 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 2026-02-10T11:42:24,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:24,834 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 2026-02-10T11:42:24,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:24,837 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 2026-02-10T11:42:24,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:24,842 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 2026-02-10T11:42:24,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:24,847 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 2026-02-10T11:42:24,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:24,852 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 2026-02-10T11:42:24,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne 2026-02-10T11:42:24,858 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 2026-02-10T11:42:24,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:24,864 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 2026-02-10T11:42:24,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:24,870 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 2026-02-10T11:42:24,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:42:24,876 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 2026-02-10T11:42:24,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:24,881 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 2026-02-10T11:42:24,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:42:24,887 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 2026-02-10T11:42:24,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:24,892 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 2026-02-10T11:42:24,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S 2026-02-10T11:42:24,896 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 2026-02-10T11:42:24,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:42:24,901 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 2026-02-10T11:42:24,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:24,906 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 2026-02-10T11:42:24,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:24,911 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 2026-02-10T11:42:24,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:24,916 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 2026-02-10T11:42:24,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:24,920 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 2026-02-10T11:42:24,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:24,924 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 2026-02-10T11:42:24,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:42:24,929 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 2026-02-10T11:42:24,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:24,933 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 2026-02-10T11:42:24,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:24,937 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 2026-02-10T11:42:24,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:24,941 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 2026-02-10T11:42:24,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN 2026-02-10T11:42:24,946 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 2026-02-10T11:42:24,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO 2026-02-10T11:42:24,951 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 2026-02-10T11:42:24,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:24,955 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 2026-02-10T11:42:24,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2 2026-02-10T11:42:24,960 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 2026-02-10T11:42:24,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O 2026-02-10T11:42:24,964 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 2026-02-10T11:42:24,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:24,969 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 2026-02-10T11:42:24,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:24,973 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 2026-02-10T11:42:24,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene 2026-02-10T11:42:24,977 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 2026-02-10T11:42:24,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:24,981 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 2026-02-10T11:42:24,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:24,986 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 2026-02-10T11:42:24,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol 2026-02-10T11:42:24,991 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 2026-02-10T11:42:24,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:24,995 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 2026-02-10T11:42:24,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:24,999 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 2026-02-10T11:42:25,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:25,003 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 2026-02-10T11:42:25,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:42:25,006 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 2026-02-10T11:42:25,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:25,009 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 2026-02-10T11:42:25,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:42:25,013 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 2026-02-10T11:42:25,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2 2026-02-10T11:42:25,016 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 2026-02-10T11:42:25,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:25,020 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 2026-02-10T11:42:25,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:25,023 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 2026-02-10T11:42:25,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:25,027 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 2026-02-10T11:42:25,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:25,031 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 2026-02-10T11:42:25,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:25,034 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 2026-02-10T11:42:25,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2 2026-02-10T11:42:25,038 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 2026-02-10T11:42:25,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3 2026-02-10T11:42:25,042 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 2026-02-10T11:42:25,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene 2026-02-10T11:42:25,045 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 2026-02-10T11:42:25,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione 2026-02-10T11:42:25,048 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 2026-02-10T11:42:25,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:25,052 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 2026-02-10T11:42:25,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:25,055 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 2026-02-10T11:42:25,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:25,059 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 2026-02-10T11:42:25,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:25,062 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 2026-02-10T11:42:25,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol 2026-02-10T11:42:25,066 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 2026-02-10T11:42:25,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:25,070 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 2026-02-10T11:42:25,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2 2026-02-10T11:42:25,073 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 2026-02-10T11:42:25,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:42:25,077 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 2026-02-10T11:42:25,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC 2026-02-10T11:42:25,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:25,083 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 2026-02-10T11:42:25,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:25,087 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 2026-02-10T11:42:25,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co 2026-02-10T11:42:25,090 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 2026-02-10T11:42:25,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:25,094 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 2026-02-10T11:42:25,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:25,097 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- 2026-02-10T11:42:25,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:25,100 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 2026-02-10T11:42:25,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:25,104 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 2026-02-10T11:42:25,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:25,107 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 2026-02-10T11:42:25,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl 2026-02-10T11:42:25,111 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 2026-02-10T11:42:25,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:25,115 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 2026-02-10T11:42:25,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:25,119 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 2026-02-10T11:42:25,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:25,122 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 2026-02-10T11:42:25,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:25,127 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 2026-02-10T11:42:25,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:25,131 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 2026-02-10T11:42:25,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:25,135 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 2026-02-10T11:42:25,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS 2026-02-10T11:42:25,139 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 2026-02-10T11:42:25,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:25,142 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 2026-02-10T11:42:25,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:25,147 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 2026-02-10T11:42:25,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:25,150 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 2026-02-10T11:42:25,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:25,154 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 2026-02-10T11:42:25,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:25,157 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 2026-02-10T11:42:25,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:25,160 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 2026-02-10T11:42:25,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:25,163 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 2026-02-10T11:42:25,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:25,167 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 2026-02-10T11:42:25,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:25,170 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 2026-02-10T11:42:25,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2 2026-02-10T11:42:25,174 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 2026-02-10T11:42:25,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:25,177 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 2026-02-10T11:42:25,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf 2026-02-10T11:42:25,182 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 2026-02-10T11:42:25,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:25,186 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 2026-02-10T11:42:25,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:25,190 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 2026-02-10T11:42:25,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:25,194 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 2026-02-10T11:42:25,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:25,198 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 2026-02-10T11:42:25,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH 2026-02-10T11:42:25,202 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 2026-02-10T11:42:25,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:25,206 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 2026-02-10T11:42:25,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:25,210 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 2026-02-10T11:42:25,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:25,215 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 2026-02-10T11:42:25,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:25,219 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 2026-02-10T11:42:25,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:25,224 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 2026-02-10T11:42:25,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2 2026-02-10T11:42:25,228 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 2026-02-10T11:42:25,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:25,232 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 2026-02-10T11:42:25,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:25,236 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 2026-02-10T11:42:25,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:25,239 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- 2026-02-10T11:42:25,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:25,243 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 2026-02-10T11:42:25,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:25,247 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 2026-02-10T11:42:25,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:25,251 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 2026-02-10T11:42:25,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f- 2026-02-10T11:42:25,254 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- 2026-02-10T11:42:25,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:25,259 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 2026-02-10T11:42:25,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:25,263 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 2026-02-10T11:42:25,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:25,267 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 2026-02-10T11:42:25,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:25,271 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 2026-02-10T11:42:25,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:25,275 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 2026-02-10T11:42:25,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco 2026-02-10T11:42:25,279 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 2026-02-10T11:42:25,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:25,283 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 2026-02-10T11:42:25,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:25,287 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 2026-02-10T11:42:25,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:25,291 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 2026-02-10T11:42:25,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:25,295 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 2026-02-10T11:42:25,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:25,298 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 2026-02-10T11:42:25,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:25,302 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 2026-02-10T11:42:25,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf 2026-02-10T11:42:25,306 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 2026-02-10T11:42:25,308 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:25,309 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 2026-02-10T11:42:25,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:25,313 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 2026-02-10T11:42:25,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:25,316 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 2026-02-10T11:42:25,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:25,320 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 2026-02-10T11:42:25,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:25,323 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 2026-02-10T11:42:25,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:25,326 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 2026-02-10T11:42:25,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f 2026-02-10T11:42:25,331 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 2026-02-10T11:42:25,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:25,335 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 2026-02-10T11:42:25,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:25,339 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 2026-02-10T11:42:25,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:25,343 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 2026-02-10T11:42:25,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:25,347 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 2026-02-10T11:42:25,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2 2026-02-10T11:42:25,350 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 2026-02-10T11:42:25,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:25,354 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 2026-02-10T11:42:25,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O 2026-02-10T11:42:25,359 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 2026-02-10T11:42:25,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh 2026-02-10T11:42:25,363 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 2026-02-10T11:42:25,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:25,367 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 2026-02-10T11:42:25,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:25,370 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 2026-02-10T11:42:25,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:25,373 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 2026-02-10T11:42:25,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:25,377 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 2026-02-10T11:42:25,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:25,381 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 2026-02-10T11:42:25,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:25,385 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 2026-02-10T11:42:25,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:25,389 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 2026-02-10T11:42:25,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:25,394 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 2026-02-10T11:42:25,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:25,398 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 2026-02-10T11:42:25,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h 2026-02-10T11:42:25,403 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 2026-02-10T11:42:25,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:25,407 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 2026-02-10T11:42:25,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:25,410 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 2026-02-10T11:42:25,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23 2026-02-10T11:42:25,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a 2026-02-10T11:42:25,417 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 2026-02-10T11:42:25,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8 2026-02-10T11:42:25,421 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 2026-02-10T11:42:25,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b 2026-02-10T11:42:25,425 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 2026-02-10T11:42:25,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b 2026-02-10T11:42:25,429 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 2026-02-10T11:42:25,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a 2026-02-10T11:42:25,433 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 2026-02-10T11:42:25,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b 2026-02-10T11:42:25,437 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 2026-02-10T11:42:25,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a 2026-02-10T11:42:25,441 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 2026-02-10T11:42:25,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19 2026-02-10T11:42:25,444 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 2026-02-10T11:42:25,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b 2026-02-10T11:42:25,449 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 2026-02-10T11:42:25,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a 2026-02-10T11:42:25,453 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 2026-02-10T11:42:25,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b 2026-02-10T11:42:25,458 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 2026-02-10T11:42:25,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16 2026-02-10T11:42:25,462 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 2026-02-10T11:42:25,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9 2026-02-10T11:42:25,467 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 2026-02-10T11:42:25,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b 2026-02-10T11:42:25,472 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 2026-02-10T11:42:25,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a 2026-02-10T11:42:25,476 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 2026-02-10T11:42:25,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b 2026-02-10T11:42:25,480 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 2026-02-10T11:42:25,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a 2026-02-10T11:42:25,483 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 2026-02-10T11:42:25,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22 2026-02-10T11:42:25,487 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 2026-02-10T11:42:25,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b 2026-02-10T11:42:25,491 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 2026-02-10T11:42:25,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b 2026-02-10T11:42:25,496 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 2026-02-10T11:42:25,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b 2026-02-10T11:42:25,500 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 2026-02-10T11:42:25,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b 2026-02-10T11:42:25,505 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 2026-02-10T11:42:25,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12 2026-02-10T11:42:25,509 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 2026-02-10T11:42:25,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23 2026-02-10T11:42:25,514 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 2026-02-10T11:42:25,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a 2026-02-10T11:42:25,518 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 2026-02-10T11:42:25,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b 2026-02-10T11:42:25,523 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 2026-02-10T11:42:25,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20 2026-02-10T11:42:25,526 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 2026-02-10T11:42:25,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4 2026-02-10T11:42:25,530 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 2026-02-10T11:42:25,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a 2026-02-10T11:42:25,533 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 2026-02-10T11:42:25,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a 2026-02-10T11:42:25,538 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 2026-02-10T11:42:25,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a 2026-02-10T11:42:25,542 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 2026-02-10T11:42:25,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a 2026-02-10T11:42:25,547 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 2026-02-10T11:42:25,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3 2026-02-10T11:42:25,551 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 2026-02-10T11:42:25,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a 2026-02-10T11:42:25,556 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 2026-02-10T11:42:25,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a 2026-02-10T11:42:25,560 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 2026-02-10T11:42:25,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a 2026-02-10T11:42:25,565 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 2026-02-10T11:42:25,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14 2026-02-10T11:42:25,569 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 2026-02-10T11:42:25,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b 2026-02-10T11:42:25,574 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 2026-02-10T11:42:25,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b 2026-02-10T11:42:25,578 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 2026-02-10T11:42:25,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b 2026-02-10T11:42:25,583 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 2026-02-10T11:42:25,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2 2026-02-10T11:42:25,588 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 2026-02-10T11:42:25,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a 2026-02-10T11:42:25,592 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 2026-02-10T11:42:25,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7 2026-02-10T11:42:25,596 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 2026-02-10T11:42:25,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b 2026-02-10T11:42:25,601 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 2026-02-10T11:42:25,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a 2026-02-10T11:42:25,606 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 2026-02-10T11:42:25,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21 2026-02-10T11:42:25,611 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 2026-02-10T11:42:25,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a 2026-02-10T11:42:25,615 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 2026-02-10T11:42:25,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a 2026-02-10T11:42:25,620 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 2026-02-10T11:42:25,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b 2026-02-10T11:42:25,624 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 2026-02-10T11:42:25,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b 2026-02-10T11:42:25,627 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 2026-02-10T11:42:25,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11 2026-02-10T11:42:25,631 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 2026-02-10T11:42:25,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5 2026-02-10T11:42:25,634 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 2026-02-10T11:42:25,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a 2026-02-10T11:42:25,637 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 2026-02-10T11:42:25,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b 2026-02-10T11:42:25,641 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 2026-02-10T11:42:25,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a 2026-02-10T11:42:25,644 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 2026-02-10T11:42:25,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1 2026-02-10T11:42:25,647 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 2026-02-10T11:42:25,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a 2026-02-10T11:42:25,651 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 2026-02-10T11:42:25,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b 2026-02-10T11:42:25,654 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 2026-02-10T11:42:25,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18 2026-02-10T11:42:25,659 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 2026-02-10T11:42:25,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17 2026-02-10T11:42:25,663 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 2026-02-10T11:42:25,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6 2026-02-10T11:42:25,667 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 2026-02-10T11:42:25,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b 2026-02-10T11:42:25,671 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 2026-02-10T11:42:25,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10 2026-02-10T11:42:25,675 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 2026-02-10T11:42:25,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a 2026-02-10T11:42:25,679 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 2026-02-10T11:42:25,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b 2026-02-10T11:42:25,683 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 2026-02-10T11:42:25,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a 2026-02-10T11:42:25,686 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 2026-02-10T11:42:25,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13 2026-02-10T11:42:25,689 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 2026-02-10T11:42:25,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15 2026-02-10T11:42:25,694 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 2026-02-10T11:42:25,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b 2026-02-10T11:42:25,699 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 2026-02-10T11:42:25,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel 2026-02-10T11:42:25,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3 2026-02-10T11:42:25,706 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 2026-02-10T11:42:25,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42 2026-02-10T11:42:25,711 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 2026-02-10T11:42:25,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:25,714 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 2026-02-10T11:42:25,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:25,718 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 2026-02-10T11:42:25,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0 2026-02-10T11:42:25,725 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 2026-02-10T11:42:25,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2 2026-02-10T11:42:25,730 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 2026-02-10T11:42:25,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1 2026-02-10T11:42:25,734 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 2026-02-10T11:42:25,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:25,739 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 2026-02-10T11:42:25,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:25,743 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 2026-02-10T11:42:25,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41 2026-02-10T11:42:25,747 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 2026-02-10T11:42:25,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3 2026-02-10T11:42:25,752 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 2026-02-10T11:42:25,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4 2026-02-10T11:42:25,756 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 2026-02-10T11:42:25,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0 2026-02-10T11:42:25,761 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 2026-02-10T11:42:25,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:25,765 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 2026-02-10T11:42:25,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2 2026-02-10T11:42:25,768 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 2026-02-10T11:42:25,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:25,772 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 2026-02-10T11:42:25,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2 2026-02-10T11:42:25,775 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 2026-02-10T11:42:25,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:25,780 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 2026-02-10T11:42:25,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0 2026-02-10T11:42:25,784 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 2026-02-10T11:42:25,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1 2026-02-10T11:42:25,788 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 2026-02-10T11:42:25,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:25,793 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 2026-02-10T11:42:25,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0 2026-02-10T11:42:25,797 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 2026-02-10T11:42:25,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:25,801 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 2026-02-10T11:42:25,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:25,805 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 2026-02-10T11:42:25,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:25,809 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 2026-02-10T11:42:25,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1 2026-02-10T11:42:25,813 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 2026-02-10T11:42:25,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2 2026-02-10T11:42:25,816 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 2026-02-10T11:42:25,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3 2026-02-10T11:42:25,820 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 2026-02-10T11:42:25,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2 2026-02-10T11:42:25,825 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 2026-02-10T11:42:25,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:25,828 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 2026-02-10T11:42:25,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0 2026-02-10T11:42:25,832 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 2026-02-10T11:42:25,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20 2026-02-10T11:42:25,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48 2026-02-10T11:42:25,839 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 2026-02-10T11:42:25,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22 2026-02-10T11:42:25,843 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 2026-02-10T11:42:25,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26 2026-02-10T11:42:25,847 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 2026-02-10T11:42:25,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47 2026-02-10T11:42:25,851 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 2026-02-10T11:42:25,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43 2026-02-10T11:42:25,856 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 2026-02-10T11:42:25,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49 2026-02-10T11:42:25,860 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 2026-02-10T11:42:25,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20 2026-02-10T11:42:25,864 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 2026-02-10T11:42:25,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26 2026-02-10T11:42:25,867 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 2026-02-10T11:42:25,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43 2026-02-10T11:42:25,872 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 2026-02-10T11:42:25,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25 2026-02-10T11:42:25,877 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 2026-02-10T11:42:25,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51 2026-02-10T11:42:25,881 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 2026-02-10T11:42:25,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52 2026-02-10T11:42:25,884 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 2026-02-10T11:42:25,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60 2026-02-10T11:42:25,888 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 2026-02-10T11:42:25,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29 2026-02-10T11:42:25,893 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 2026-02-10T11:42:25,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56 2026-02-10T11:42:25,897 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 2026-02-10T11:42:25,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49 2026-02-10T11:42:25,901 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 2026-02-10T11:42:25,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48 2026-02-10T11:42:25,906 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 2026-02-10T11:42:25,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40 2026-02-10T11:42:25,911 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 2026-02-10T11:42:25,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40 2026-02-10T11:42:25,915 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 2026-02-10T11:42:25,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52 2026-02-10T11:42:25,919 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 2026-02-10T11:42:25,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21 2026-02-10T11:42:25,924 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 2026-02-10T11:42:25,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22 2026-02-10T11:42:25,927 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 2026-02-10T11:42:25,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51 2026-02-10T11:42:25,932 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 2026-02-10T11:42:25,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46 2026-02-10T11:42:25,936 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 2026-02-10T11:42:25,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57 2026-02-10T11:42:25,941 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 2026-02-10T11:42:25,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45 2026-02-10T11:42:25,945 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 2026-02-10T11:42:25,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44 2026-02-10T11:42:25,948 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 2026-02-10T11:42:25,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46 2026-02-10T11:42:25,953 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 2026-02-10T11:42:25,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45 2026-02-10T11:42:25,956 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 2026-02-10T11:42:25,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20 2026-02-10T11:42:25,961 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 2026-02-10T11:42:25,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60 2026-02-10T11:42:25,965 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 2026-02-10T11:42:25,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56 2026-02-10T11:42:25,969 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 2026-02-10T11:42:25,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44 2026-02-10T11:42:25,973 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 2026-02-10T11:42:25,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25 2026-02-10T11:42:25,978 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 2026-02-10T11:42:25,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47 2026-02-10T11:42:25,982 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 2026-02-10T11:42:25,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28 2026-02-10T11:42:25,986 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 2026-02-10T11:42:25,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18 2026-02-10T11:42:25,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:25,992 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 2026-02-10T11:42:25,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:25,996 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 2026-02-10T11:42:26,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:26,001 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 2026-02-10T11:42:26,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:26,005 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 2026-02-10T11:42:26,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:26,009 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 2026-02-10T11:42:26,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:26,014 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 2026-02-10T11:42:26,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:26,019 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 2026-02-10T11:42:26,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:26,023 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 2026-02-10T11:42:26,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:26,027 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 2026-02-10T11:42:26,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:26,032 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 2026-02-10T11:42:26,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:26,036 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 2026-02-10T11:42:26,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:26,041 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 2026-02-10T11:42:26,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:26,045 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 2026-02-10T11:42:26,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:26,049 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 2026-02-10T11:42:26,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:26,052 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 2026-02-10T11:42:26,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:26,055 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 2026-02-10T11:42:26,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:26,059 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 2026-02-10T11:42:26,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:26,063 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 2026-02-10T11:42:26,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:26,068 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 2026-02-10T11:42:26,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:26,073 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 2026-02-10T11:42:26,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:26,077 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 2026-02-10T11:42:26,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:26,080 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 2026-02-10T11:42:26,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:26,083 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 2026-02-10T11:42:26,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:26,088 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 2026-02-10T11:42:26,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:26,092 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 2026-02-10T11:42:26,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:26,097 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 2026-02-10T11:42:26,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:26,101 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 2026-02-10T11:42:26,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:26,105 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 2026-02-10T11:42:26,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:26,110 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 2026-02-10T11:42:26,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC 2026-02-10T11:42:26,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X 2026-02-10T11:42:26,116 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 2026-02-10T11:42:26,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein 2026-02-10T11:42:26,120 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 2026-02-10T11:42:26,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9 2026-02-10T11:42:26,124 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 2026-02-10T11:42:26,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1 2026-02-10T11:42:26,128 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 2026-02-10T11:42:26,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2 2026-02-10T11:42:26,132 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 2026-02-10T11:42:26,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3 2026-02-10T11:42:26,137 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 2026-02-10T11:42:26,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10 2026-02-10T11:42:26,141 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 2026-02-10T11:42:26,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane 2026-02-10T11:42:26,145 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 2026-02-10T11:42:26,147 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine 2026-02-10T11:42:26,148 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 2026-02-10T11:42:26,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:26,152 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 2026-02-10T11:42:26,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene 2026-02-10T11:42:26,155 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 2026-02-10T11:42:26,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene 2026-02-10T11:42:26,159 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 2026-02-10T11:42:26,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5 2026-02-10T11:42:26,163 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 2026-02-10T11:42:26,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X 2026-02-10T11:42:26,167 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 2026-02-10T11:42:26,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4 2026-02-10T11:42:26,171 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 2026-02-10T11:42:26,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X 2026-02-10T11:42:26,175 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 2026-02-10T11:42:26,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene 2026-02-10T11:42:26,179 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 2026-02-10T11:42:26,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X 2026-02-10T11:42:26,184 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 2026-02-10T11:42:26,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7 2026-02-10T11:42:26,188 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 2026-02-10T11:42:26,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8 2026-02-10T11:42:26,191 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 2026-02-10T11:42:26,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6 2026-02-10T11:42:26,195 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 2026-02-10T11:42:26,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:26,198 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 2026-02-10T11:42:26,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43 2026-02-10T11:42:26,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27 2026-02-10T11:42:26,205 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 2026-02-10T11:42:26,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32 2026-02-10T11:42:26,208 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 2026-02-10T11:42:26,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34 2026-02-10T11:42:26,212 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 2026-02-10T11:42:26,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22 2026-02-10T11:42:26,215 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 2026-02-10T11:42:26,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38 2026-02-10T11:42:26,220 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 2026-02-10T11:42:26,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31 2026-02-10T11:42:26,223 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 2026-02-10T11:42:26,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45 2026-02-10T11:42:26,226 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 2026-02-10T11:42:26,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6 2026-02-10T11:42:26,230 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 2026-02-10T11:42:26,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43 2026-02-10T11:42:26,235 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 2026-02-10T11:42:26,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21 2026-02-10T11:42:26,239 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 2026-02-10T11:42:26,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34 2026-02-10T11:42:26,244 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 2026-02-10T11:42:26,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7 2026-02-10T11:42:26,247 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 2026-02-10T11:42:26,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9 2026-02-10T11:42:26,251 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 2026-02-10T11:42:26,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29 2026-02-10T11:42:26,255 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 2026-02-10T11:42:26,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26 2026-02-10T11:42:26,260 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 2026-02-10T11:42:26,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37 2026-02-10T11:42:26,264 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 2026-02-10T11:42:26,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1 2026-02-10T11:42:26,269 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 2026-02-10T11:42:26,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26 2026-02-10T11:42:26,273 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 2026-02-10T11:42:26,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39 2026-02-10T11:42:26,278 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 2026-02-10T11:42:26,281 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44 2026-02-10T11:42:26,282 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 2026-02-10T11:42:26,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9 2026-02-10T11:42:26,286 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 2026-02-10T11:42:26,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32 2026-02-10T11:42:26,291 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 2026-02-10T11:42:26,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31 2026-02-10T11:42:26,296 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 2026-02-10T11:42:26,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19 2026-02-10T11:42:26,299 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 2026-02-10T11:42:26,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18 2026-02-10T11:42:26,303 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 2026-02-10T11:42:26,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16 2026-02-10T11:42:26,307 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 2026-02-10T11:42:26,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21 2026-02-10T11:42:26,311 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 2026-02-10T11:42:26,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41 2026-02-10T11:42:26,315 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 2026-02-10T11:42:26,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1 2026-02-10T11:42:26,319 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 2026-02-10T11:42:26,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18 2026-02-10T11:42:26,323 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 2026-02-10T11:42:26,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12 2026-02-10T11:42:26,326 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 2026-02-10T11:42:26,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29 2026-02-10T11:42:26,330 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 2026-02-10T11:42:26,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2 2026-02-10T11:42:26,334 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 2026-02-10T11:42:26,337 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17 2026-02-10T11:42:26,338 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 2026-02-10T11:42:26,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25 2026-02-10T11:42:26,341 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 2026-02-10T11:42:26,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40 2026-02-10T11:42:26,344 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 2026-02-10T11:42:26,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27 2026-02-10T11:42:26,348 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 2026-02-10T11:42:26,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2026-02-10T11:42:26,352 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40 2026-02-10T11:42:26,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3 2026-02-10T11:42:26,355 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 2026-02-10T11:42:26,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24 2026-02-10T11:42:26,359 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 2026-02-10T11:42:26,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10 2026-02-10T11:42:26,363 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 2026-02-10T11:42:26,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13 2026-02-10T11:42:26,367 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 2026-02-10T11:42:26,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20 2026-02-10T11:42:26,371 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 2026-02-10T11:42:26,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30 2026-02-10T11:42:26,374 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 2026-02-10T11:42:26,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33 2026-02-10T11:42:26,377 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 2026-02-10T11:42:26,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4 2026-02-10T11:42:26,381 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 2026-02-10T11:42:26,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8 2026-02-10T11:42:26,385 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 2026-02-10T11:42:26,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22 2026-02-10T11:42:26,389 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 2026-02-10T11:42:26,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42 2026-02-10T11:42:26,393 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 2026-02-10T11:42:26,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15 2026-02-10T11:42:26,397 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 2026-02-10T11:42:26,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3 2026-02-10T11:42:26,401 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 2026-02-10T11:42:26,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23 2026-02-10T11:42:26,404 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 2026-02-10T11:42:26,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24 2026-02-10T11:42:26,409 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 2026-02-10T11:42:26,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11 2026-02-10T11:42:26,413 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 2026-02-10T11:42:26,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42 2026-02-10T11:42:26,419 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 2026-02-10T11:42:26,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39 2026-02-10T11:42:26,423 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 2026-02-10T11:42:26,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36 2026-02-10T11:42:26,428 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 2026-02-10T11:42:26,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12 2026-02-10T11:42:26,432 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 2026-02-10T11:42:26,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5 2026-02-10T11:42:26,436 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 2026-02-10T11:42:26,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23 2026-02-10T11:42:26,441 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 2026-02-10T11:42:26,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4 2026-02-10T11:42:26,446 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 2026-02-10T11:42:26,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43 2026-02-10T11:42:26,451 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 2026-02-10T11:42:26,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2 2026-02-10T11:42:26,457 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 2026-02-10T11:42:26,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15 2026-02-10T11:42:26,462 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 2026-02-10T11:42:26,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36 2026-02-10T11:42:26,467 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 2026-02-10T11:42:26,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37 2026-02-10T11:42:26,471 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 2026-02-10T11:42:26,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35 2026-02-10T11:42:26,476 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 2026-02-10T11:42:26,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19 2026-02-10T11:42:26,481 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 2026-02-10T11:42:26,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28 2026-02-10T11:42:26,485 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 2026-02-10T11:42:26,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33 2026-02-10T11:42:26,490 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 2026-02-10T11:42:26,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35 2026-02-10T11:42:26,494 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 2026-02-10T11:42:26,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5 2026-02-10T11:42:26,500 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 2026-02-10T11:42:26,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11 2026-02-10T11:42:26,505 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 2026-02-10T11:42:26,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45 2026-02-10T11:42:26,510 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 2026-02-10T11:42:26,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20 2026-02-10T11:42:26,514 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 2026-02-10T11:42:26,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38 2026-02-10T11:42:26,519 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 2026-02-10T11:42:26,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44 2026-02-10T11:42:26,522 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 2026-02-10T11:42:26,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16 2026-02-10T11:42:26,526 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 2026-02-10T11:42:26,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28 2026-02-10T11:42:26,529 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 2026-02-10T11:42:26,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17 2026-02-10T11:42:26,533 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 2026-02-10T11:42:26,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25 2026-02-10T11:42:26,537 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 2026-02-10T11:42:26,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30 2026-02-10T11:42:26,541 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 2026-02-10T11:42:26,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7 2026-02-10T11:42:26,544 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 2026-02-10T11:42:26,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8 2026-02-10T11:42:26,549 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 2026-02-10T11:42:26,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41 2026-02-10T11:42:26,552 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 2026-02-10T11:42:26,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13 2026-02-10T11:42:26,557 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 2026-02-10T11:42:26,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6 2026-02-10T11:42:26,561 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 2026-02-10T11:42:26,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10 2026-02-10T11:42:26,566 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 2026-02-10T11:42:26,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21 2026-02-10T11:42:26,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8 2026-02-10T11:42:26,573 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 2026-02-10T11:42:26,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B 2026-02-10T11:42:26,577 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 2026-02-10T11:42:26,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B 2026-02-10T11:42:26,580 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 2026-02-10T11:42:26,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B 2026-02-10T11:42:26,583 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 2026-02-10T11:42:26,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19 2026-02-10T11:42:26,587 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 2026-02-10T11:42:26,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B 2026-02-10T11:42:26,591 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 2026-02-10T11:42:26,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A 2026-02-10T11:42:26,595 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 2026-02-10T11:42:26,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16 2026-02-10T11:42:26,599 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 2026-02-10T11:42:26,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9 2026-02-10T11:42:26,603 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 2026-02-10T11:42:26,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B 2026-02-10T11:42:26,606 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 2026-02-10T11:42:26,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A 2026-02-10T11:42:26,611 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 2026-02-10T11:42:26,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B 2026-02-10T11:42:26,614 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 2026-02-10T11:42:26,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B 2026-02-10T11:42:26,620 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 2026-02-10T11:42:26,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12 2026-02-10T11:42:26,623 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 2026-02-10T11:42:26,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A 2026-02-10T11:42:26,627 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 2026-02-10T11:42:26,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B 2026-02-10T11:42:26,631 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 2026-02-10T11:42:26,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B 2026-02-10T11:42:26,635 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 2026-02-10T11:42:26,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A 2026-02-10T11:42:26,639 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 2026-02-10T11:42:26,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A 2026-02-10T11:42:26,644 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 2026-02-10T11:42:26,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B 2026-02-10T11:42:26,648 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 2026-02-10T11:42:26,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A 2026-02-10T11:42:26,653 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 2026-02-10T11:42:26,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20 2026-02-10T11:42:26,657 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 2026-02-10T11:42:26,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A 2026-02-10T11:42:26,660 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 2026-02-10T11:42:26,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A 2026-02-10T11:42:26,664 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 2026-02-10T11:42:26,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4 2026-02-10T11:42:26,669 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 2026-02-10T11:42:26,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A 2026-02-10T11:42:26,674 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 2026-02-10T11:42:26,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A 2026-02-10T11:42:26,677 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 2026-02-10T11:42:26,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B 2026-02-10T11:42:26,681 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 2026-02-10T11:42:26,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B 2026-02-10T11:42:26,686 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 2026-02-10T11:42:26,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A 2026-02-10T11:42:26,691 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 2026-02-10T11:42:26,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A 2026-02-10T11:42:26,695 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 2026-02-10T11:42:26,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3 2026-02-10T11:42:26,698 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 2026-02-10T11:42:26,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B 2026-02-10T11:42:26,703 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 2026-02-10T11:42:26,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A 2026-02-10T11:42:26,707 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 2026-02-10T11:42:26,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A 2026-02-10T11:42:26,711 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 2026-02-10T11:42:26,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A 2026-02-10T11:42:26,714 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 2026-02-10T11:42:26,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A 2026-02-10T11:42:26,718 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 2026-02-10T11:42:26,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14 2026-02-10T11:42:26,722 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 2026-02-10T11:42:26,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2 2026-02-10T11:42:26,726 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 2026-02-10T11:42:26,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7 2026-02-10T11:42:26,730 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 2026-02-10T11:42:26,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21 2026-02-10T11:42:26,735 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 2026-02-10T11:42:26,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B 2026-02-10T11:42:26,738 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 2026-02-10T11:42:26,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B 2026-02-10T11:42:26,743 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 2026-02-10T11:42:26,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B 2026-02-10T11:42:26,747 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 2026-02-10T11:42:26,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A 2026-02-10T11:42:26,751 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 2026-02-10T11:42:26,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11 2026-02-10T11:42:26,756 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 2026-02-10T11:42:26,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B 2026-02-10T11:42:26,760 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 2026-02-10T11:42:26,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5 2026-02-10T11:42:26,764 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 2026-02-10T11:42:26,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1 2026-02-10T11:42:26,768 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 2026-02-10T11:42:26,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B 2026-02-10T11:42:26,773 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 2026-02-10T11:42:26,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18 2026-02-10T11:42:26,777 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 2026-02-10T11:42:26,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17 2026-02-10T11:42:26,780 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 2026-02-10T11:42:26,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A 2026-02-10T11:42:26,783 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 2026-02-10T11:42:26,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6 2026-02-10T11:42:26,787 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 2026-02-10T11:42:26,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A 2026-02-10T11:42:26,791 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 2026-02-10T11:42:26,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B 2026-02-10T11:42:26,795 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 2026-02-10T11:42:26,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2026-02-10T11:42:26,799 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B 2026-02-10T11:42:26,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10 2026-02-10T11:42:26,804 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 2026-02-10T11:42:26,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B 2026-02-10T11:42:26,809 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 2026-02-10T11:42:26,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13 2026-02-10T11:42:26,813 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 2026-02-10T11:42:26,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A 2026-02-10T11:42:26,817 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 2026-02-10T11:42:26,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15 2026-02-10T11:42:26,822 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 2026-02-10T11:42:26,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A 2026-02-10T11:42:26,826 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 2026-02-10T11:42:26,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6 2026-02-10T11:42:26,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B 2026-02-10T11:42:26,833 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 2026-02-10T11:42:26,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B 2026-02-10T11:42:26,837 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 2026-02-10T11:42:26,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22 2026-02-10T11:42:26,842 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 2026-02-10T11:42:26,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25 2026-02-10T11:42:26,845 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 2026-02-10T11:42:26,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23 2026-02-10T11:42:26,849 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 2026-02-10T11:42:26,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B 2026-02-10T11:42:26,852 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 2026-02-10T11:42:26,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24 2026-02-10T11:42:26,856 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 2026-02-10T11:42:26,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B 2026-02-10T11:42:26,860 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 2026-02-10T11:42:26,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B 2026-02-10T11:42:26,864 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 2026-02-10T11:42:26,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A 2026-02-10T11:42:26,869 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 2026-02-10T11:42:26,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A 2026-02-10T11:42:26,873 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 2026-02-10T11:42:26,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A 2026-02-10T11:42:26,877 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 2026-02-10T11:42:26,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A 2026-02-10T11:42:26,882 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 2026-02-10T11:42:26,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26 2026-02-10T11:42:26,886 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 2026-02-10T11:42:26,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A 2026-02-10T11:42:26,890 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 2026-02-10T11:42:26,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B 2026-02-10T11:42:26,893 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 2026-02-10T11:42:26,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27 2026-02-10T11:42:26,896 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 2026-02-10T11:42:26,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A 2026-02-10T11:42:26,901 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 2026-02-10T11:42:26,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10 2026-02-10T11:42:26,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:26,907 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 2026-02-10T11:42:26,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:26,911 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 2026-02-10T11:42:26,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:26,915 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 2026-02-10T11:42:26,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:26,919 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 2026-02-10T11:42:26,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:26,923 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 2026-02-10T11:42:26,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:26,928 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 2026-02-10T11:42:26,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:26,932 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 2026-02-10T11:42:26,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:26,935 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 2026-02-10T11:42:26,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:26,939 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 2026-02-10T11:42:26,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:26,944 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 2026-02-10T11:42:26,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:26,948 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 2026-02-10T11:42:26,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:26,952 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 2026-02-10T11:42:26,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:26,956 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 2026-02-10T11:42:26,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:26,960 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 2026-02-10T11:42:26,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:26,965 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 2026-02-10T11:42:26,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:26,969 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 2026-02-10T11:42:26,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:26,974 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 2026-02-10T11:42:26,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:26,978 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 2026-02-10T11:42:26,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:26,982 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 2026-02-10T11:42:26,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:26,986 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 2026-02-10T11:42:26,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22 2026-02-10T11:42:26,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a 2026-02-10T11:42:26,993 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 2026-02-10T11:42:26,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a 2026-02-10T11:42:26,996 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 2026-02-10T11:42:26,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b 2026-02-10T11:42:27,000 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 2026-02-10T11:42:27,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b 2026-02-10T11:42:27,003 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 2026-02-10T11:42:27,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19 2026-02-10T11:42:27,007 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 2026-02-10T11:42:27,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a 2026-02-10T11:42:27,010 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 2026-02-10T11:42:27,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16 2026-02-10T11:42:27,014 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 2026-02-10T11:42:27,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b 2026-02-10T11:42:27,017 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 2026-02-10T11:42:27,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a 2026-02-10T11:42:27,022 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 2026-02-10T11:42:27,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a 2026-02-10T11:42:27,026 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 2026-02-10T11:42:27,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22 2026-02-10T11:42:27,031 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 2026-02-10T11:42:27,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a 2026-02-10T11:42:27,035 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 2026-02-10T11:42:27,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b 2026-02-10T11:42:27,040 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 2026-02-10T11:42:27,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b 2026-02-10T11:42:27,044 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 2026-02-10T11:42:27,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12 2026-02-10T11:42:27,049 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 2026-02-10T11:42:27,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a 2026-02-10T11:42:27,053 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 2026-02-10T11:42:27,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b 2026-02-10T11:42:27,057 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 2026-02-10T11:42:27,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20 2026-02-10T11:42:27,061 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 2026-02-10T11:42:27,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a 2026-02-10T11:42:27,065 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 2026-02-10T11:42:27,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04 2026-02-10T11:42:27,068 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 2026-02-10T11:42:27,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a 2026-02-10T11:42:27,073 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 2026-02-10T11:42:27,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a 2026-02-10T11:42:27,077 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 2026-02-10T11:42:27,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09 2026-02-10T11:42:27,081 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 2026-02-10T11:42:27,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a 2026-02-10T11:42:27,084 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 2026-02-10T11:42:27,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06 2026-02-10T11:42:27,088 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 2026-02-10T11:42:27,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a 2026-02-10T11:42:27,092 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 2026-02-10T11:42:27,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14 2026-02-10T11:42:27,097 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 2026-02-10T11:42:27,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b 2026-02-10T11:42:27,100 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 2026-02-10T11:42:27,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b 2026-02-10T11:42:27,105 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 2026-02-10T11:42:27,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03 2026-02-10T11:42:27,109 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 2026-02-10T11:42:27,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a 2026-02-10T11:42:27,113 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 2026-02-10T11:42:27,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a 2026-02-10T11:42:27,117 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 2026-02-10T11:42:27,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a 2026-02-10T11:42:27,120 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 2026-02-10T11:42:27,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21 2026-02-10T11:42:27,124 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 2026-02-10T11:42:27,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b 2026-02-10T11:42:27,128 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 2026-02-10T11:42:27,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01 2026-02-10T11:42:27,131 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 2026-02-10T11:42:27,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08 2026-02-10T11:42:27,134 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 2026-02-10T11:42:27,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b 2026-02-10T11:42:27,138 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 2026-02-10T11:42:27,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11 2026-02-10T11:42:27,141 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 2026-02-10T11:42:27,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a 2026-02-10T11:42:27,145 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 2026-02-10T11:42:27,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b 2026-02-10T11:42:27,149 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 2026-02-10T11:42:27,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a 2026-02-10T11:42:27,154 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 2026-02-10T11:42:27,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07 2026-02-10T11:42:27,158 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 2026-02-10T11:42:27,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a 2026-02-10T11:42:27,161 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 2026-02-10T11:42:27,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18 2026-02-10T11:42:27,165 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 2026-02-10T11:42:27,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17 2026-02-10T11:42:27,169 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 2026-02-10T11:42:27,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b 2026-02-10T11:42:27,173 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 2026-02-10T11:42:27,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a 2026-02-10T11:42:27,176 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 2026-02-10T11:42:27,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10 2026-02-10T11:42:27,180 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 2026-02-10T11:42:27,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05 2026-02-10T11:42:27,183 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 2026-02-10T11:42:27,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a 2026-02-10T11:42:27,187 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 2026-02-10T11:42:27,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a 2026-02-10T11:42:27,191 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 2026-02-10T11:42:27,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02 2026-02-10T11:42:27,195 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 2026-02-10T11:42:27,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13 2026-02-10T11:42:27,200 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 2026-02-10T11:42:27,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15 2026-02-10T11:42:27,203 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 2026-02-10T11:42:27,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b 2026-02-10T11:42:27,207 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 2026-02-10T11:42:27,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a 2026-02-10T11:42:27,211 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 2026-02-10T11:42:27,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL 2026-02-10T11:42:27,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:27,219 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 2026-02-10T11:42:27,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:27,224 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 2026-02-10T11:42:27,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:27,228 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 2026-02-10T11:42:27,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:27,233 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 2026-02-10T11:42:27,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:27,238 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 2026-02-10T11:42:27,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:27,244 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 2026-02-10T11:42:27,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:27,248 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 2026-02-10T11:42:27,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:27,252 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 2026-02-10T11:42:27,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:27,257 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 2026-02-10T11:42:27,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:27,264 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 2026-02-10T11:42:27,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:27,269 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 2026-02-10T11:42:27,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:27,274 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 2026-02-10T11:42:27,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:27,280 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 2026-02-10T11:42:27,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:27,285 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 2026-02-10T11:42:27,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:27,290 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 2026-02-10T11:42:27,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:27,295 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 2026-02-10T11:42:27,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:27,301 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 2026-02-10T11:42:27,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:27,306 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 2026-02-10T11:42:27,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:27,311 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 2026-02-10T11:42:27,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:27,314 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 2026-02-10T11:42:27,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:27,318 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 2026-02-10T11:42:27,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:27,322 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 2026-02-10T11:42:27,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:27,325 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 2026-02-10T11:42:27,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:27,329 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 2026-02-10T11:42:27,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:27,332 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 2026-02-10T11:42:27,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:27,336 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 2026-02-10T11:42:27,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:27,341 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 2026-02-10T11:42:27,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:27,345 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 2026-02-10T11:42:27,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:27,350 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 2026-02-10T11:42:27,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:27,354 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 2026-02-10T11:42:27,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:27,358 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 2026-02-10T11:42:27,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:27,362 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 2026-02-10T11:42:27,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:27,367 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 2026-02-10T11:42:27,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:27,371 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 2026-02-10T11:42:27,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:27,375 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 2026-02-10T11:42:27,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:27,379 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 2026-02-10T11:42:27,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:27,383 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 2026-02-10T11:42:27,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:27,387 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 2026-02-10T11:42:27,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:27,390 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 2026-02-10T11:42:27,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:27,394 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 2026-02-10T11:42:27,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:27,397 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 2026-02-10T11:42:27,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:27,401 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 2026-02-10T11:42:27,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:27,405 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 2026-02-10T11:42:27,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:27,409 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 2026-02-10T11:42:27,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:27,413 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 2026-02-10T11:42:27,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:27,416 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 2026-02-10T11:42:27,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:27,420 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 2026-02-10T11:42:27,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:27,425 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 2026-02-10T11:42:27,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:27,429 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 2026-02-10T11:42:27,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:27,434 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 2026-02-10T11:42:27,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:27,437 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 2026-02-10T11:42:27,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:27,441 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 2026-02-10T11:42:27,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:27,444 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 2026-02-10T11:42:27,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:27,447 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 2026-02-10T11:42:27,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:27,451 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 2026-02-10T11:42:27,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:27,454 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 2026-02-10T11:42:27,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:27,458 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 2026-02-10T11:42:27,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:27,462 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 2026-02-10T11:42:27,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:27,466 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 2026-02-10T11:42:27,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:27,472 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 2026-02-10T11:42:27,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:27,475 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 2026-02-10T11:42:27,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:27,479 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 2026-02-10T11:42:27,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:27,483 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 2026-02-10T11:42:27,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:27,486 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 2026-02-10T11:42:27,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:27,491 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 2026-02-10T11:42:27,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP 2026-02-10T11:42:27,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f 2026-02-10T11:42:27,497 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 2026-02-10T11:42:27,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1 2026-02-10T11:42:27,501 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 2026-02-10T11:42:27,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l 2026-02-10T11:42:27,505 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 2026-02-10T11:42:27,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l 2026-02-10T11:42:27,509 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 2026-02-10T11:42:27,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22 2026-02-10T11:42:27,513 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 2026-02-10T11:42:27,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:27,516 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 2026-02-10T11:42:27,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f 2026-02-10T11:42:27,520 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 2026-02-10T11:42:27,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:27,523 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 2026-02-10T11:42:27,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2 2026-02-10T11:42:27,527 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 2026-02-10T11:42:27,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:27,531 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 2026-02-10T11:42:27,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:27,535 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 2026-02-10T11:42:27,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant 2026-02-10T11:42:27,539 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 2026-02-10T11:42:27,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2 2026-02-10T11:42:27,543 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 2026-02-10T11:42:27,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28 2026-02-10T11:42:27,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:27,548 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 2026-02-10T11:42:27,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:27,552 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 2026-02-10T11:42:27,555 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:27,556 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 2026-02-10T11:42:27,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:27,559 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 2026-02-10T11:42:27,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:27,562 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 2026-02-10T11:42:27,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:27,566 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 2026-02-10T11:42:27,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:27,569 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 2026-02-10T11:42:27,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:27,573 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 2026-02-10T11:42:27,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:27,578 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 2026-02-10T11:42:27,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:27,582 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 2026-02-10T11:42:27,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:27,586 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 2026-02-10T11:42:27,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:27,590 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 2026-02-10T11:42:27,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:27,594 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 2026-02-10T11:42:27,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:27,598 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 2026-02-10T11:42:27,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:27,602 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 2026-02-10T11:42:27,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:27,605 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 2026-02-10T11:42:27,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:27,609 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 2026-02-10T11:42:27,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:27,614 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 2026-02-10T11:42:27,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:27,619 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 2026-02-10T11:42:27,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:27,622 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 2026-02-10T11:42:27,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:27,625 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 2026-02-10T11:42:27,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:27,629 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 2026-02-10T11:42:27,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:27,632 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 2026-02-10T11:42:27,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:27,636 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 2026-02-10T11:42:27,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:27,640 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 2026-02-10T11:42:27,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:27,644 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 2026-02-10T11:42:27,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:27,648 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 2026-02-10T11:42:27,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:27,651 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 2026-02-10T11:42:27,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:27,655 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 2026-02-10T11:42:27,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:27,659 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 2026-02-10T11:42:27,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:27,663 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 2026-02-10T11:42:27,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:27,668 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 2026-02-10T11:42:27,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:27,672 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 2026-02-10T11:42:27,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:27,676 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 2026-02-10T11:42:27,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:27,680 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 2026-02-10T11:42:27,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:27,685 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 2026-02-10T11:42:27,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:27,688 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 2026-02-10T11:42:27,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:27,693 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 2026-02-10T11:42:27,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP 2026-02-10T11:42:27,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8 2026-02-10T11:42:27,699 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 2026-02-10T11:42:27,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30 2026-02-10T11:42:27,704 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 2026-02-10T11:42:27,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:27,707 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 2026-02-10T11:42:27,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43 2026-02-10T11:42:27,712 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 2026-02-10T11:42:27,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c 2026-02-10T11:42:27,715 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 2026-02-10T11:42:27,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na 2026-02-10T11:42:27,719 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 2026-02-10T11:42:27,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19 2026-02-10T11:42:27,723 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 2026-02-10T11:42:27,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:27,727 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 2026-02-10T11:42:27,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:27,732 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 2026-02-10T11:42:27,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:27,736 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 2026-02-10T11:42:27,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl 2026-02-10T11:42:27,740 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 2026-02-10T11:42:27,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:27,744 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 2026-02-10T11:42:27,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o 2026-02-10T11:42:27,747 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 2026-02-10T11:42:27,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45 2026-02-10T11:42:27,751 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 2026-02-10T11:42:27,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22 2026-02-10T11:42:27,755 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 2026-02-10T11:42:27,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25 2026-02-10T11:42:27,760 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 2026-02-10T11:42:27,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12 2026-02-10T11:42:27,764 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 2026-02-10T11:42:27,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48 2026-02-10T11:42:27,768 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 2026-02-10T11:42:27,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20 2026-02-10T11:42:27,772 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 2026-02-10T11:42:27,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al 2026-02-10T11:42:27,776 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 2026-02-10T11:42:27,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:27,780 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 2026-02-10T11:42:27,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s 2026-02-10T11:42:27,783 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 2026-02-10T11:42:27,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:27,786 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 2026-02-10T11:42:27,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li 2026-02-10T11:42:27,790 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 2026-02-10T11:42:27,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+ 2026-02-10T11:42:27,795 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+ 2026-02-10T11:42:27,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+ 2026-02-10T11:42:27,799 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+ 2026-02-10T11:42:27,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n 2026-02-10T11:42:27,802 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 2026-02-10T11:42:27,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+ 2026-02-10T11:42:27,806 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+ 2026-02-10T11:42:27,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:27,810 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 2026-02-10T11:42:27,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:27,814 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 2026-02-10T11:42:27,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg 2026-02-10T11:42:27,818 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 2026-02-10T11:42:27,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:27,822 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 2026-02-10T11:42:27,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:27,825 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 2026-02-10T11:42:27,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:27,828 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 2026-02-10T11:42:27,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:27,832 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+ 2026-02-10T11:42:27,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p 2026-02-10T11:42:27,836 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 2026-02-10T11:42:27,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14 2026-02-10T11:42:27,839 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 2026-02-10T11:42:27,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:27,842 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 2026-02-10T11:42:27,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51 2026-02-10T11:42:27,846 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 2026-02-10T11:42:27,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44 2026-02-10T11:42:27,850 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 2026-02-10T11:42:27,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b 2026-02-10T11:42:27,854 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 2026-02-10T11:42:27,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+ 2026-02-10T11:42:27,858 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+ 2026-02-10T11:42:27,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:27,862 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 2026-02-10T11:42:27,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:27,865 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 2026-02-10T11:42:27,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+ 2026-02-10T11:42:27,869 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+ 2026-02-10T11:42:27,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+ 2026-02-10T11:42:27,872 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+ 2026-02-10T11:42:27,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:27,876 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 2026-02-10T11:42:27,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37 2026-02-10T11:42:27,881 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 2026-02-10T11:42:27,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11 2026-02-10T11:42:27,885 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 2026-02-10T11:42:27,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:27,888 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+ 2026-02-10T11:42:27,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137 2026-02-10T11:42:27,892 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 2026-02-10T11:42:27,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18 2026-02-10T11:42:27,897 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 2026-02-10T11:42:27,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f 2026-02-10T11:42:27,900 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 2026-02-10T11:42:27,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26 2026-02-10T11:42:27,904 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 2026-02-10T11:42:27,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+ 2026-02-10T11:42:27,908 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+ 2026-02-10T11:42:27,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:27,912 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 2026-02-10T11:42:27,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:27,916 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 2026-02-10T11:42:27,918 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:27,919 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 2026-02-10T11:42:27,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+ 2026-02-10T11:42:27,923 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+ 2026-02-10T11:42:27,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13 2026-02-10T11:42:27,927 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 2026-02-10T11:42:27,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+ 2026-02-10T11:42:27,932 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+ 2026-02-10T11:42:27,934 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34 2026-02-10T11:42:27,935 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 2026-02-10T11:42:27,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+ 2026-02-10T11:42:27,938 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+ 2026-02-10T11:42:27,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+ 2026-02-10T11:42:27,942 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+ 2026-02-10T11:42:27,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be 2026-02-10T11:42:27,947 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 2026-02-10T11:42:27,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si 2026-02-10T11:42:27,951 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 2026-02-10T11:42:27,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:27,956 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 2026-02-10T11:42:27,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:27,961 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 2026-02-10T11:42:27,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:27,964 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 2026-02-10T11:42:27,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h 2026-02-10T11:42:27,968 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 2026-02-10T11:42:27,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+ 2026-02-10T11:42:27,972 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+ 2026-02-10T11:42:27,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13 2026-02-10T11:42:27,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:27,978 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 2026-02-10T11:42:27,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6 2026-02-10T11:42:27,982 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 2026-02-10T11:42:27,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:27,986 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 2026-02-10T11:42:27,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:27,990 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 2026-02-10T11:42:27,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf 2026-02-10T11:42:27,994 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 2026-02-10T11:42:27,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:27,998 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 2026-02-10T11:42:28,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3 2026-02-10T11:42:28,002 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 2026-02-10T11:42:28,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:42:28,006 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 2026-02-10T11:42:28,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:42:28,010 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 2026-02-10T11:42:28,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:42:28,013 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 2026-02-10T11:42:28,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:42:28,016 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 2026-02-10T11:42:28,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:42:28,020 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 2026-02-10T11:42:28,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:42:28,023 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 2026-02-10T11:42:28,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:42:28,027 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 2026-02-10T11:42:28,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4 2026-02-10T11:42:28,030 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 2026-02-10T11:42:28,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3 2026-02-10T11:42:28,034 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 2026-02-10T11:42:28,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:42:28,037 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 2026-02-10T11:42:28,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:28,041 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 2026-02-10T11:42:28,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2 2026-02-10T11:42:28,044 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 2026-02-10T11:42:28,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:42:28,048 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 2026-02-10T11:42:28,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:42:28,052 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 2026-02-10T11:42:28,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:28,056 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 2026-02-10T11:42:28,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:42:28,060 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 2026-02-10T11:42:28,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5 2026-02-10T11:42:28,063 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 2026-02-10T11:42:28,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:42:28,067 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 2026-02-10T11:42:28,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o 2026-02-10T11:42:28,070 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 2026-02-10T11:42:28,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:28,074 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 2026-02-10T11:42:28,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:42:28,078 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 2026-02-10T11:42:28,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:28,082 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 2026-02-10T11:42:28,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4 2026-02-10T11:42:28,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:28,088 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 2026-02-10T11:42:28,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:28,092 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 2026-02-10T11:42:28,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:28,096 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 2026-02-10T11:42:28,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:28,101 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 2026-02-10T11:42:28,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:28,105 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 2026-02-10T11:42:28,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:28,110 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 2026-02-10T11:42:28,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:28,114 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 2026-02-10T11:42:28,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:28,118 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 2026-02-10T11:42:28,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:28,121 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 2026-02-10T11:42:28,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:28,125 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 2026-02-10T11:42:28,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:28,129 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 2026-02-10T11:42:28,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:28,132 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 2026-02-10T11:42:28,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:28,136 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 2026-02-10T11:42:28,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:28,139 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 2026-02-10T11:42:28,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:28,143 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 2026-02-10T11:42:28,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:28,148 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 2026-02-10T11:42:28,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:28,152 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 2026-02-10T11:42:28,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:28,155 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 2026-02-10T11:42:28,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:28,159 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 2026-02-10T11:42:28,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:28,163 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 2026-02-10T11:42:28,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:28,167 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 2026-02-10T11:42:28,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:28,171 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 2026-02-10T11:42:28,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:28,175 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 2026-02-10T11:42:28,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:28,179 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 2026-02-10T11:42:28,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:28,183 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 2026-02-10T11:42:28,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:28,186 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 2026-02-10T11:42:28,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:28,190 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 2026-02-10T11:42:28,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:28,193 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 2026-02-10T11:42:28,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:28,197 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 2026-02-10T11:42:28,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:28,200 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 2026-02-10T11:42:28,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:28,204 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 2026-02-10T11:42:28,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:28,208 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 2026-02-10T11:42:28,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:28,213 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 2026-02-10T11:42:28,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:28,217 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 2026-02-10T11:42:28,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:28,221 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 2026-02-10T11:42:28,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:28,224 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 2026-02-10T11:42:28,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:28,228 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 2026-02-10T11:42:28,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:28,231 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 2026-02-10T11:42:28,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:28,235 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 2026-02-10T11:42:28,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:28,239 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 2026-02-10T11:42:28,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:28,243 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 2026-02-10T11:42:28,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:28,248 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 2026-02-10T11:42:28,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:28,251 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 2026-02-10T11:42:28,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:28,255 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 2026-02-10T11:42:28,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:28,259 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 2026-02-10T11:42:28,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:28,263 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 2026-02-10T11:42:28,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:28,267 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 2026-02-10T11:42:28,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:28,271 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 2026-02-10T11:42:28,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:28,276 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 2026-02-10T11:42:28,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:28,280 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 2026-02-10T11:42:28,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:28,284 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 2026-02-10T11:42:28,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:28,287 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 2026-02-10T11:42:28,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:28,291 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 2026-02-10T11:42:28,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:28,294 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 2026-02-10T11:42:28,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:28,299 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 2026-02-10T11:42:28,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:28,302 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 2026-02-10T11:42:28,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:28,307 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 2026-02-10T11:42:28,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:28,311 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 2026-02-10T11:42:28,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:28,316 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 2026-02-10T11:42:28,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:28,320 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 2026-02-10T11:42:28,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:28,325 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 2026-02-10T11:42:28,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:28,330 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 2026-02-10T11:42:28,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:28,334 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 2026-02-10T11:42:28,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:28,337 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 2026-02-10T11:42:28,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:28,341 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 2026-02-10T11:42:28,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:28,344 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 2026-02-10T11:42:28,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:28,348 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 2026-02-10T11:42:28,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:28,352 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 2026-02-10T11:42:28,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:28,357 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 2026-02-10T11:42:28,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:28,361 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 2026-02-10T11:42:28,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:28,366 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 2026-02-10T11:42:28,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:28,371 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 2026-02-10T11:42:28,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:28,374 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 2026-02-10T11:42:28,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:28,379 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 2026-02-10T11:42:28,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:28,383 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 2026-02-10T11:42:28,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:28,388 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 2026-02-10T11:42:28,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:28,392 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 2026-02-10T11:42:28,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:28,397 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 2026-02-10T11:42:28,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:28,401 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 2026-02-10T11:42:28,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:28,405 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 2026-02-10T11:42:28,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:28,408 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 2026-02-10T11:42:28,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:28,412 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 2026-02-10T11:42:28,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:28,416 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 2026-02-10T11:42:28,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:28,421 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 2026-02-10T11:42:28,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:28,425 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 2026-02-10T11:42:28,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:28,430 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 2026-02-10T11:42:28,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:28,434 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 2026-02-10T11:42:28,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:28,438 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 2026-02-10T11:42:28,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:28,441 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 2026-02-10T11:42:28,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:28,444 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 2026-02-10T11:42:28,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:28,449 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 2026-02-10T11:42:28,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:28,454 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 2026-02-10T11:42:28,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:28,458 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 2026-02-10T11:42:28,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:28,463 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 2026-02-10T11:42:28,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:28,467 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 2026-02-10T11:42:28,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:28,472 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 2026-02-10T11:42:28,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:28,477 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 2026-02-10T11:42:28,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:28,480 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 2026-02-10T11:42:28,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:28,483 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 2026-02-10T11:42:28,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:28,488 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 2026-02-10T11:42:28,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24 2026-02-10T11:42:28,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:28,495 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 2026-02-10T11:42:28,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:28,499 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 2026-02-10T11:42:28,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:28,504 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 2026-02-10T11:42:28,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:28,507 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 2026-02-10T11:42:28,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:28,511 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 2026-02-10T11:42:28,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:28,515 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 2026-02-10T11:42:28,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:28,519 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 2026-02-10T11:42:28,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:28,524 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 2026-02-10T11:42:28,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:28,528 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 2026-02-10T11:42:28,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:28,531 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 2026-02-10T11:42:28,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:28,535 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 2026-02-10T11:42:28,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:28,539 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 2026-02-10T11:42:28,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:28,543 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 2026-02-10T11:42:28,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:28,547 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 2026-02-10T11:42:28,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:28,551 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 2026-02-10T11:42:28,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:28,555 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 2026-02-10T11:42:28,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:28,560 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 2026-02-10T11:42:28,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:28,564 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 2026-02-10T11:42:28,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:28,569 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 2026-02-10T11:42:28,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:42:28,574 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 2026-02-10T11:42:28,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:28,578 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 2026-02-10T11:42:28,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether 2026-02-10T11:42:28,582 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 2026-02-10T11:42:28,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:28,586 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 2026-02-10T11:42:28,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:28,589 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 2026-02-10T11:42:28,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S 2026-02-10T11:42:28,593 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 2026-02-10T11:42:28,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3 2026-02-10T11:42:28,597 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 2026-02-10T11:42:28,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:28,600 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 2026-02-10T11:42:28,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:28,604 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 2026-02-10T11:42:28,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:28,609 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 2026-02-10T11:42:28,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3 2026-02-10T11:42:28,614 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 2026-02-10T11:42:28,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:28,618 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 2026-02-10T11:42:28,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:28,622 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 2026-02-10T11:42:28,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:28,625 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 2026-02-10T11:42:28,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:28,628 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 2026-02-10T11:42:28,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:28,632 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 2026-02-10T11:42:28,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3 2026-02-10T11:42:28,637 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 2026-02-10T11:42:28,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:28,642 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 2026-02-10T11:42:28,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:28,646 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:28,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O 2026-02-10T11:42:28,651 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 2026-02-10T11:42:28,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3 2026-02-10T11:42:28,654 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 2026-02-10T11:42:28,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2 2026-02-10T11:42:28,659 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 2026-02-10T11:42:28,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:42:28,663 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 2026-02-10T11:42:28,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3 2026-02-10T11:42:28,666 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 2026-02-10T11:42:28,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:28,670 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 2026-02-10T11:42:28,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:28,674 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 2026-02-10T11:42:28,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:28,678 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 2026-02-10T11:42:28,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether 2026-02-10T11:42:28,682 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 2026-02-10T11:42:28,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:28,686 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 2026-02-10T11:42:28,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF 2026-02-10T11:42:28,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10 2026-02-10T11:42:28,692 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 2026-02-10T11:42:28,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2 2026-02-10T11:42:28,696 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 2026-02-10T11:42:28,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4 2026-02-10T11:42:28,700 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 2026-02-10T11:42:28,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4 2026-02-10T11:42:28,704 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 2026-02-10T11:42:28,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3 2026-02-10T11:42:28,708 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 2026-02-10T11:42:28,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5 2026-02-10T11:42:28,711 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 2026-02-10T11:42:28,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13 2026-02-10T11:42:28,715 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 2026-02-10T11:42:28,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15 2026-02-10T11:42:28,718 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 2026-02-10T11:42:28,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11 2026-02-10T11:42:28,722 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 2026-02-10T11:42:28,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14 2026-02-10T11:42:28,726 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 2026-02-10T11:42:28,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2 2026-02-10T11:42:28,730 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 2026-02-10T11:42:28,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3 2026-02-10T11:42:28,735 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 2026-02-10T11:42:28,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9 2026-02-10T11:42:28,740 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 2026-02-10T11:42:28,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6 2026-02-10T11:42:28,744 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 2026-02-10T11:42:28,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12 2026-02-10T11:42:28,750 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 2026-02-10T11:42:28,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1 2026-02-10T11:42:28,754 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 2026-02-10T11:42:28,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7 2026-02-10T11:42:28,759 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 2026-02-10T11:42:28,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8 2026-02-10T11:42:28,765 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 2026-02-10T11:42:28,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1 2026-02-10T11:42:28,770 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 2026-02-10T11:42:28,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11 2026-02-10T11:42:28,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of 2026-02-10T11:42:28,780 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 2026-02-10T11:42:28,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2 2026-02-10T11:42:28,784 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 2026-02-10T11:42:28,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co 2026-02-10T11:42:28,788 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 2026-02-10T11:42:28,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c 2026-02-10T11:42:28,792 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 2026-02-10T11:42:28,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:28,796 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 2026-02-10T11:42:28,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn 2026-02-10T11:42:28,801 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 2026-02-10T11:42:28,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so 2026-02-10T11:42:28,805 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 2026-02-10T11:42:28,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:28,809 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 2026-02-10T11:42:28,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno 2026-02-10T11:42:28,813 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 2026-02-10T11:42:28,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h 2026-02-10T11:42:28,818 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 2026-02-10T11:42:28,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch 2026-02-10T11:42:28,823 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 2026-02-10T11:42:28,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane 2026-02-10T11:42:28,827 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 2026-02-10T11:42:28,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo 2026-02-10T11:42:28,831 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 2026-02-10T11:42:28,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:28,836 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 2026-02-10T11:42:28,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:28,840 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 2026-02-10T11:42:28,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2 2026-02-10T11:42:28,844 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 2026-02-10T11:42:28,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:28,848 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 2026-02-10T11:42:28,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:28,852 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 2026-02-10T11:42:28,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs 2026-02-10T11:42:28,856 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 2026-02-10T11:42:28,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic 2026-02-10T11:42:28,860 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 2026-02-10T11:42:28,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf 2026-02-10T11:42:28,864 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 2026-02-10T11:42:28,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3 2026-02-10T11:42:28,869 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 2026-02-10T11:42:28,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc 2026-02-10T11:42:28,872 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 2026-02-10T11:42:28,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo 2026-02-10T11:42:28,876 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 2026-02-10T11:42:28,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:28,879 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 2026-02-10T11:42:28,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl 2026-02-10T11:42:28,883 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 2026-02-10T11:42:28,885 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:28,886 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 2026-02-10T11:42:28,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2 2026-02-10T11:42:28,890 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 2026-02-10T11:42:28,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:28,895 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 2026-02-10T11:42:28,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o 2026-02-10T11:42:28,899 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 2026-02-10T11:42:28,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3 2026-02-10T11:42:28,904 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 2026-02-10T11:42:28,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:42:28,908 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 2026-02-10T11:42:28,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs 2026-02-10T11:42:28,912 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 2026-02-10T11:42:28,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4 2026-02-10T11:42:28,916 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 2026-02-10T11:42:28,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:28,921 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 2026-02-10T11:42:28,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco 2026-02-10T11:42:28,925 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 2026-02-10T11:42:28,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc 2026-02-10T11:42:28,929 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 2026-02-10T11:42:28,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3 2026-02-10T11:42:28,933 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 2026-02-10T11:42:28,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene 2026-02-10T11:42:28,937 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 2026-02-10T11:42:28,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o 2026-02-10T11:42:28,941 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 2026-02-10T11:42:28,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne 2026-02-10T11:42:28,946 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 2026-02-10T11:42:28,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene 2026-02-10T11:42:28,950 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 2026-02-10T11:42:28,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:28,955 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 2026-02-10T11:42:28,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:28,959 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 2026-02-10T11:42:28,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co 2026-02-10T11:42:28,963 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 2026-02-10T11:42:28,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3 2026-02-10T11:42:28,967 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 2026-02-10T11:42:28,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs 2026-02-10T11:42:28,971 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 2026-02-10T11:42:28,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof 2026-02-10T11:42:28,975 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 2026-02-10T11:42:28,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co 2026-02-10T11:42:28,979 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 2026-02-10T11:42:28,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:28,983 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 2026-02-10T11:42:28,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2 2026-02-10T11:42:28,986 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 2026-02-10T11:42:28,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2 2026-02-10T11:42:28,989 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 2026-02-10T11:42:28,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene 2026-02-10T11:42:28,993 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 2026-02-10T11:42:28,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4 2026-02-10T11:42:28,996 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 2026-02-10T11:42:28,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf 2026-02-10T11:42:28,999 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 2026-02-10T11:42:29,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al 2026-02-10T11:42:29,003 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 2026-02-10T11:42:29,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s 2026-02-10T11:42:29,007 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 2026-02-10T11:42:29,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf 2026-02-10T11:42:29,012 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 2026-02-10T11:42:29,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2 2026-02-10T11:42:29,016 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 2026-02-10T11:42:29,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:42:29,020 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 2026-02-10T11:42:29,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:29,023 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 2026-02-10T11:42:29,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2 2026-02-10T11:42:29,028 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 2026-02-10T11:42:29,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2 2026-02-10T11:42:29,032 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 2026-02-10T11:42:29,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n 2026-02-10T11:42:29,036 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 2026-02-10T11:42:29,039 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2 2026-02-10T11:42:29,041 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 2026-02-10T11:42:29,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:29,045 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 2026-02-10T11:42:29,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2 2026-02-10T11:42:29,049 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 2026-02-10T11:42:29,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2 2026-02-10T11:42:29,052 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 2026-02-10T11:42:29,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:29,056 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 2026-02-10T11:42:29,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2 2026-02-10T11:42:29,060 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 2026-02-10T11:42:29,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch 2026-02-10T11:42:29,064 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 2026-02-10T11:42:29,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:29,069 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 2026-02-10T11:42:29,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4 2026-02-10T11:42:29,073 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 2026-02-10T11:42:29,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno 2026-02-10T11:42:29,076 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 2026-02-10T11:42:29,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:29,080 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 2026-02-10T11:42:29,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:29,084 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 2026-02-10T11:42:29,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof 2026-02-10T11:42:29,088 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 2026-02-10T11:42:29,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:42:29,093 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 2026-02-10T11:42:29,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh 2026-02-10T11:42:29,096 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 2026-02-10T11:42:29,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p 2026-02-10T11:42:29,101 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 2026-02-10T11:42:29,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3 2026-02-10T11:42:29,105 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 2026-02-10T11:42:29,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn 2026-02-10T11:42:29,109 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 2026-02-10T11:42:29,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf 2026-02-10T11:42:29,113 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 2026-02-10T11:42:29,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo 2026-02-10T11:42:29,117 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 2026-02-10T11:42:29,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:29,120 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 2026-02-10T11:42:29,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:29,125 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 2026-02-10T11:42:29,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b 2026-02-10T11:42:29,130 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 2026-02-10T11:42:29,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3 2026-02-10T11:42:29,134 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 2026-02-10T11:42:29,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono 2026-02-10T11:42:29,138 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 2026-02-10T11:42:29,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco 2026-02-10T11:42:29,142 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 2026-02-10T11:42:29,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic 2026-02-10T11:42:29,147 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 2026-02-10T11:42:29,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3 2026-02-10T11:42:29,151 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 2026-02-10T11:42:29,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:29,156 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 2026-02-10T11:42:29,159 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn 2026-02-10T11:42:29,160 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 2026-02-10T11:42:29,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof 2026-02-10T11:42:29,164 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 2026-02-10T11:42:29,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh 2026-02-10T11:42:29,168 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 2026-02-10T11:42:29,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn 2026-02-10T11:42:29,172 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 2026-02-10T11:42:29,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf 2026-02-10T11:42:29,176 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 2026-02-10T11:42:29,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4 2026-02-10T11:42:29,180 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 2026-02-10T11:42:29,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2 2026-02-10T11:42:29,185 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 2026-02-10T11:42:29,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:29,188 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 2026-02-10T11:42:29,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2 2026-02-10T11:42:29,192 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 2026-02-10T11:42:29,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono 2026-02-10T11:42:29,196 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 2026-02-10T11:42:29,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif 2026-02-10T11:42:29,200 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 2026-02-10T11:42:29,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol 2026-02-10T11:42:29,203 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 2026-02-10T11:42:29,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s 2026-02-10T11:42:29,207 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 2026-02-10T11:42:29,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2 2026-02-10T11:42:29,211 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 2026-02-10T11:42:29,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf 2026-02-10T11:42:29,214 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 2026-02-10T11:42:29,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl 2026-02-10T11:42:29,218 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 2026-02-10T11:42:29,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:29,222 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 2026-02-10T11:42:29,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio 2026-02-10T11:42:29,227 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 2026-02-10T11:42:29,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3 2026-02-10T11:42:29,231 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 2026-02-10T11:42:29,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn 2026-02-10T11:42:29,234 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 2026-02-10T11:42:29,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl 2026-02-10T11:42:29,238 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 2026-02-10T11:42:29,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo 2026-02-10T11:42:29,242 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 2026-02-10T11:42:29,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o 2026-02-10T11:42:29,246 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 2026-02-10T11:42:29,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f 2026-02-10T11:42:29,251 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 2026-02-10T11:42:29,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:29,255 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 2026-02-10T11:42:29,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:29,259 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 2026-02-10T11:42:29,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:29,264 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 2026-02-10T11:42:29,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:29,268 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 2026-02-10T11:42:29,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4 2026-02-10T11:42:29,272 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 2026-02-10T11:42:29,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh 2026-02-10T11:42:29,275 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 2026-02-10T11:42:29,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo 2026-02-10T11:42:29,280 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 2026-02-10T11:42:29,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2 2026-02-10T11:42:29,284 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 2026-02-10T11:42:29,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o 2026-02-10T11:42:29,288 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 2026-02-10T11:42:29,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no 2026-02-10T11:42:29,292 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 2026-02-10T11:42:29,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:42:29,296 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 2026-02-10T11:42:29,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o 2026-02-10T11:42:29,300 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 2026-02-10T11:42:29,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3 2026-02-10T11:42:29,304 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 2026-02-10T11:42:29,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh 2026-02-10T11:42:29,308 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 2026-02-10T11:42:29,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:42:29,313 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 2026-02-10T11:42:29,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo 2026-02-10T11:42:29,317 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 2026-02-10T11:42:29,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh 2026-02-10T11:42:29,320 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 2026-02-10T11:42:29,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf 2026-02-10T11:42:29,324 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 2026-02-10T11:42:29,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:42:29,328 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 2026-02-10T11:42:29,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:42:29,332 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 2026-02-10T11:42:29,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2 2026-02-10T11:42:29,337 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 2026-02-10T11:42:29,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3 2026-02-10T11:42:29,342 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 2026-02-10T11:42:29,345 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:29,346 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 2026-02-10T11:42:29,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:29,351 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 2026-02-10T11:42:29,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be 2026-02-10T11:42:29,355 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 2026-02-10T11:42:29,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:29,359 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 2026-02-10T11:42:29,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si 2026-02-10T11:42:29,363 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 2026-02-10T11:42:29,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl 2026-02-10T11:42:29,366 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 2026-02-10T11:42:29,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:29,370 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 2026-02-10T11:42:29,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2 2026-02-10T11:42:29,373 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 2026-02-10T11:42:29,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2 2026-02-10T11:42:29,377 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 2026-02-10T11:42:29,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn 2026-02-10T11:42:29,380 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 2026-02-10T11:42:29,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih 2026-02-10T11:42:29,384 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 2026-02-10T11:42:29,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h 2026-02-10T11:42:29,387 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 2026-02-10T11:42:29,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh 2026-02-10T11:42:29,391 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 2026-02-10T11:42:29,394 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27 2026-02-10T11:42:29,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:29,398 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 2026-02-10T11:42:29,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:29,402 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 2026-02-10T11:42:29,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:29,406 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 2026-02-10T11:42:29,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:29,411 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 2026-02-10T11:42:29,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:29,415 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 2026-02-10T11:42:29,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:29,419 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 2026-02-10T11:42:29,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:29,423 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 2026-02-10T11:42:29,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:29,426 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 2026-02-10T11:42:29,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:29,430 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 2026-02-10T11:42:29,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:29,434 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 2026-02-10T11:42:29,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:29,437 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 2026-02-10T11:42:29,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:29,440 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 2026-02-10T11:42:29,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:29,444 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 2026-02-10T11:42:29,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:29,447 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 2026-02-10T11:42:29,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:29,452 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 2026-02-10T11:42:29,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:29,456 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 2026-02-10T11:42:29,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:29,460 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 2026-02-10T11:42:29,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:29,464 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 2026-02-10T11:42:29,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:29,467 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 2026-02-10T11:42:29,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:29,471 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 2026-02-10T11:42:29,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:29,475 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 2026-02-10T11:42:29,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:29,478 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 2026-02-10T11:42:29,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:29,483 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 2026-02-10T11:42:29,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:29,488 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 2026-02-10T11:42:29,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:29,492 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 2026-02-10T11:42:29,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:29,496 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 2026-02-10T11:42:29,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:29,500 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 2026-02-10T11:42:29,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:29,504 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 2026-02-10T11:42:29,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:29,507 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 2026-02-10T11:42:29,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:29,512 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 2026-02-10T11:42:29,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:29,515 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 2026-02-10T11:42:29,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:29,518 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 2026-02-10T11:42:29,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:29,522 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 2026-02-10T11:42:29,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:29,527 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 2026-02-10T11:42:29,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:29,531 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 2026-02-10T11:42:29,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:29,536 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 2026-02-10T11:42:29,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:29,540 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 2026-02-10T11:42:29,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:29,544 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 2026-02-10T11:42:29,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:29,548 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 2026-02-10T11:42:29,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:29,553 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 2026-02-10T11:42:29,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC 2026-02-10T11:42:29,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:29,560 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 2026-02-10T11:42:29,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:29,564 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 2026-02-10T11:42:29,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:29,567 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 2026-02-10T11:42:29,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:29,571 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 2026-02-10T11:42:29,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch 2026-02-10T11:42:29,575 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 2026-02-10T11:42:29,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:29,579 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 2026-02-10T11:42:29,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz 2026-02-10T11:42:29,583 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 2026-02-10T11:42:29,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:29,587 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 2026-02-10T11:42:29,591 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:29,592 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 2026-02-10T11:42:29,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:29,596 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 2026-02-10T11:42:29,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:29,600 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 2026-02-10T11:42:29,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:29,605 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 2026-02-10T11:42:29,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2 2026-02-10T11:42:29,609 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 2026-02-10T11:42:29,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:29,614 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 2026-02-10T11:42:29,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:29,617 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 2026-02-10T11:42:29,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2 2026-02-10T11:42:29,622 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 2026-02-10T11:42:29,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:29,627 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 2026-02-10T11:42:29,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:29,631 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 2026-02-10T11:42:29,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:29,635 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 2026-02-10T11:42:29,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:29,640 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 2026-02-10T11:42:29,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:29,644 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 2026-02-10T11:42:29,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21 2026-02-10T11:42:29,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4 2026-02-10T11:42:29,650 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 2026-02-10T11:42:29,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2 2026-02-10T11:42:29,655 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 2026-02-10T11:42:29,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6 2026-02-10T11:42:29,660 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 2026-02-10T11:42:29,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e 2026-02-10T11:42:29,665 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 2026-02-10T11:42:29,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me 2026-02-10T11:42:29,670 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 2026-02-10T11:42:29,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5 2026-02-10T11:42:29,674 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 2026-02-10T11:42:29,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2 2026-02-10T11:42:29,679 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 2026-02-10T11:42:29,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1 2026-02-10T11:42:29,685 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 2026-02-10T11:42:29,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2 2026-02-10T11:42:29,690 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 2026-02-10T11:42:29,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3 2026-02-10T11:42:29,694 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 2026-02-10T11:42:29,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1 2026-02-10T11:42:29,699 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 2026-02-10T11:42:29,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e 2026-02-10T11:42:29,703 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 2026-02-10T11:42:29,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr 2026-02-10T11:42:29,708 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 2026-02-10T11:42:29,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3 2026-02-10T11:42:29,713 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 2026-02-10T11:42:29,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1 2026-02-10T11:42:29,719 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 2026-02-10T11:42:29,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p 2026-02-10T11:42:29,725 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 2026-02-10T11:42:29,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3 2026-02-10T11:42:29,730 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 2026-02-10T11:42:29,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e 2026-02-10T11:42:29,735 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 2026-02-10T11:42:29,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e 2026-02-10T11:42:29,739 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 2026-02-10T11:42:29,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1 2026-02-10T11:42:29,744 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 2026-02-10T11:42:29,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene 2026-02-10T11:42:29,749 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 2026-02-10T11:42:29,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1 2026-02-10T11:42:29,753 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 2026-02-10T11:42:29,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1 2026-02-10T11:42:29,758 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 2026-02-10T11:42:29,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2 2026-02-10T11:42:29,762 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 2026-02-10T11:42:29,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3 2026-02-10T11:42:29,765 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 2026-02-10T11:42:29,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int 2026-02-10T11:42:29,769 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 2026-02-10T11:42:29,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1 2026-02-10T11:42:29,773 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 2026-02-10T11:42:29,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e 2026-02-10T11:42:29,779 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 2026-02-10T11:42:29,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2 2026-02-10T11:42:29,784 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 2026-02-10T11:42:29,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2 2026-02-10T11:42:29,789 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 2026-02-10T11:42:29,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1 2026-02-10T11:42:29,793 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 2026-02-10T11:42:29,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e 2026-02-10T11:42:29,797 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 2026-02-10T11:42:29,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3 2026-02-10T11:42:29,800 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 2026-02-10T11:42:29,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1 2026-02-10T11:42:29,804 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 2026-02-10T11:42:29,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2 2026-02-10T11:42:29,807 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 2026-02-10T11:42:29,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p 2026-02-10T11:42:29,810 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 2026-02-10T11:42:29,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e 2026-02-10T11:42:29,814 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 2026-02-10T11:42:29,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e 2026-02-10T11:42:29,817 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 2026-02-10T11:42:29,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e 2026-02-10T11:42:29,820 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 2026-02-10T11:42:29,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3 2026-02-10T11:42:29,824 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 2026-02-10T11:42:29,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e 2026-02-10T11:42:29,829 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 2026-02-10T11:42:29,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15 2026-02-10T11:42:29,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b 2026-02-10T11:42:29,835 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 2026-02-10T11:42:29,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c 2026-02-10T11:42:29,839 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 2026-02-10T11:42:29,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a 2026-02-10T11:42:29,842 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 2026-02-10T11:42:29,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b 2026-02-10T11:42:29,847 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 2026-02-10T11:42:29,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a 2026-02-10T11:42:29,851 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 2026-02-10T11:42:29,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c 2026-02-10T11:42:29,855 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 2026-02-10T11:42:29,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a 2026-02-10T11:42:29,860 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 2026-02-10T11:42:29,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b 2026-02-10T11:42:29,864 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 2026-02-10T11:42:29,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a 2026-02-10T11:42:29,868 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 2026-02-10T11:42:29,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b 2026-02-10T11:42:29,872 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 2026-02-10T11:42:29,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b 2026-02-10T11:42:29,876 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 2026-02-10T11:42:29,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b 2026-02-10T11:42:29,880 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 2026-02-10T11:42:29,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a 2026-02-10T11:42:29,883 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 2026-02-10T11:42:29,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c 2026-02-10T11:42:29,887 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 2026-02-10T11:42:29,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a 2026-02-10T11:42:29,892 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 2026-02-10T11:42:29,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a 2026-02-10T11:42:29,896 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 2026-02-10T11:42:29,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d 2026-02-10T11:42:29,900 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 2026-02-10T11:42:29,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b 2026-02-10T11:42:29,904 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 2026-02-10T11:42:29,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a 2026-02-10T11:42:29,908 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 2026-02-10T11:42:29,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a 2026-02-10T11:42:29,912 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 2026-02-10T11:42:29,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b 2026-02-10T11:42:29,916 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 2026-02-10T11:42:29,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d 2026-02-10T11:42:29,920 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 2026-02-10T11:42:29,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a 2026-02-10T11:42:29,924 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 2026-02-10T11:42:29,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b 2026-02-10T11:42:29,928 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 2026-02-10T11:42:29,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b 2026-02-10T11:42:29,932 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 2026-02-10T11:42:29,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10 2026-02-10T11:42:29,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:29,937 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+ 2026-02-10T11:42:29,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:29,942 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+ 2026-02-10T11:42:29,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:29,946 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+ 2026-02-10T11:42:29,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:29,951 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 2026-02-10T11:42:29,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:29,955 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 2026-02-10T11:42:29,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:29,959 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+ 2026-02-10T11:42:29,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:29,964 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+ 2026-02-10T11:42:29,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:29,967 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+ 2026-02-10T11:42:29,970 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:29,971 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 2026-02-10T11:42:29,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:29,975 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 2026-02-10T11:42:29,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:29,979 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+ 2026-02-10T11:42:29,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:29,983 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 2026-02-10T11:42:29,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:29,986 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 2026-02-10T11:42:29,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:29,990 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 2026-02-10T11:42:29,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:29,993 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 2026-02-10T11:42:29,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:29,997 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+ 2026-02-10T11:42:29,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:30,000 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+ 2026-02-10T11:42:30,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:30,004 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 2026-02-10T11:42:30,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be 2026-02-10T11:42:30,008 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 2026-02-10T11:42:30,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:30,012 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+ 2026-02-10T11:42:30,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26 2026-02-10T11:42:30,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly 2026-02-10T11:42:30,020 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 2026-02-10T11:42:30,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys 2026-02-10T11:42:30,023 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 2026-02-10T11:42:30,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp 2026-02-10T11:42:30,026 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 2026-02-10T11:42:30,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6 2026-02-10T11:42:30,030 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 2026-02-10T11:42:30,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp 2026-02-10T11:42:30,034 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 2026-02-10T11:42:30,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6 2026-02-10T11:42:30,039 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 2026-02-10T11:42:30,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C 2026-02-10T11:42:30,043 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 2026-02-10T11:42:30,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T 2026-02-10T11:42:30,047 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 2026-02-10T11:42:30,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol 2026-02-10T11:42:30,052 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 2026-02-10T11:42:30,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap 2026-02-10T11:42:30,056 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 2026-02-10T11:42:30,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:30,061 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 2026-02-10T11:42:30,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2 2026-02-10T11:42:30,065 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 2026-02-10T11:42:30,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2 2026-02-10T11:42:30,069 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 2026-02-10T11:42:30,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2026-02-10T11:42:30,072 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p 2026-02-10T11:42:30,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op 2026-02-10T11:42:30,077 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 2026-02-10T11:42:30,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:30,082 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 2026-02-10T11:42:30,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:30,086 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 2026-02-10T11:42:30,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6 2026-02-10T11:42:30,090 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 2026-02-10T11:42:30,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4 2026-02-10T11:42:30,093 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 2026-02-10T11:42:30,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:30,097 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 2026-02-10T11:42:30,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass 2026-02-10T11:42:30,100 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 2026-02-10T11:42:30,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp 2026-02-10T11:42:30,104 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 2026-02-10T11:42:30,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p 2026-02-10T11:42:30,108 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 2026-02-10T11:42:30,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3 2026-02-10T11:42:30,112 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 2026-02-10T11:42:30,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G 2026-02-10T11:42:30,116 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 2026-02-10T11:42:30,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p 2026-02-10T11:42:30,120 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 2026-02-10T11:42:30,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:30,123 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 2026-02-10T11:42:30,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp 2026-02-10T11:42:30,127 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 2026-02-10T11:42:30,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4 2026-02-10T11:42:30,130 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 2026-02-10T11:42:30,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A 2026-02-10T11:42:30,134 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 2026-02-10T11:42:30,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp 2026-02-10T11:42:30,138 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 2026-02-10T11:42:30,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:30,142 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 2026-02-10T11:42:30,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2 2026-02-10T11:42:30,146 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 2026-02-10T11:42:30,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p 2026-02-10T11:42:30,150 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 2026-02-10T11:42:30,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s 2026-02-10T11:42:30,154 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 2026-02-10T11:42:30,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp 2026-02-10T11:42:30,158 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 2026-02-10T11:42:30,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:30,161 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 2026-02-10T11:42:30,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl 2026-02-10T11:42:30,164 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 2026-02-10T11:42:30,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3 2026-02-10T11:42:30,167 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 2026-02-10T11:42:30,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp 2026-02-10T11:42:30,172 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 2026-02-10T11:42:30,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:30,177 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 2026-02-10T11:42:30,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p 2026-02-10T11:42:30,181 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 2026-02-10T11:42:30,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o 2026-02-10T11:42:30,186 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 2026-02-10T11:42:30,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:30,190 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 2026-02-10T11:42:30,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol 2026-02-10T11:42:30,194 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 2026-02-10T11:42:30,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s 2026-02-10T11:42:30,198 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 2026-02-10T11:42:30,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp 2026-02-10T11:42:30,201 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 2026-02-10T11:42:30,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p 2026-02-10T11:42:30,205 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 2026-02-10T11:42:30,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8 2026-02-10T11:42:30,210 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 2026-02-10T11:42:30,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p 2026-02-10T11:42:30,215 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 2026-02-10T11:42:30,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p 2026-02-10T11:42:30,219 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 2026-02-10T11:42:30,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp 2026-02-10T11:42:30,223 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 2026-02-10T11:42:30,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76 2026-02-10T11:42:30,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17 2026-02-10T11:42:30,230 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 2026-02-10T11:42:30,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2 2026-02-10T11:42:30,233 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 2026-02-10T11:42:30,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co 2026-02-10T11:42:30,237 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 2026-02-10T11:42:30,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn 2026-02-10T11:42:30,241 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 2026-02-10T11:42:30,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl- 2026-02-10T11:42:30,247 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- 2026-02-10T11:42:30,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05 2026-02-10T11:42:30,252 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 2026-02-10T11:42:30,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:30,258 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 2026-02-10T11:42:30,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f 2026-02-10T11:42:30,264 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 2026-02-10T11:42:30,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl 2026-02-10T11:42:30,269 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 2026-02-10T11:42:30,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4 2026-02-10T11:42:30,275 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 2026-02-10T11:42:30,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:30,280 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 2026-02-10T11:42:30,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3 2026-02-10T11:42:30,284 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 2026-02-10T11:42:30,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4 2026-02-10T11:42:30,289 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 2026-02-10T11:42:30,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14 2026-02-10T11:42:30,293 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 2026-02-10T11:42:30,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts 2026-02-10T11:42:30,298 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 2026-02-10T11:42:30,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS 2026-02-10T11:42:30,303 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 2026-02-10T11:42:30,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:30,308 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 2026-02-10T11:42:30,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20 2026-02-10T11:42:30,313 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 2026-02-10T11:42:30,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc 2026-02-10T11:42:30,318 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 2026-02-10T11:42:30,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:30,324 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 2026-02-10T11:42:30,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o 2026-02-10T11:42:30,328 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 2026-02-10T11:42:30,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07 2026-02-10T11:42:30,333 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 2026-02-10T11:42:30,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:30,336 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 2026-02-10T11:42:30,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2 2026-02-10T11:42:30,340 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 2026-02-10T11:42:30,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5 2026-02-10T11:42:30,343 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 2026-02-10T11:42:30,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2 2026-02-10T11:42:30,347 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 2026-02-10T11:42:30,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:30,350 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 2026-02-10T11:42:30,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf 2026-02-10T11:42:30,354 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 2026-02-10T11:42:30,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7 2026-02-10T11:42:30,358 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 2026-02-10T11:42:30,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5 2026-02-10T11:42:30,362 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 2026-02-10T11:42:30,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18 2026-02-10T11:42:30,366 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 2026-02-10T11:42:30,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:30,371 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 2026-02-10T11:42:30,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH 2026-02-10T11:42:30,376 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 2026-02-10T11:42:30,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16 2026-02-10T11:42:30,380 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 2026-02-10T11:42:30,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10 2026-02-10T11:42:30,384 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 2026-02-10T11:42:30,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19 2026-02-10T11:42:30,388 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 2026-02-10T11:42:30,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:30,392 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 2026-02-10T11:42:30,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04 2026-02-10T11:42:30,397 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 2026-02-10T11:42:30,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2 2026-02-10T11:42:30,401 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 2026-02-10T11:42:30,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2 2026-02-10T11:42:30,406 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 2026-02-10T11:42:30,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02 2026-02-10T11:42:30,410 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 2026-02-10T11:42:30,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh- 2026-02-10T11:42:30,414 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- 2026-02-10T11:42:30,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8 2026-02-10T11:42:30,417 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 2026-02-10T11:42:30,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:30,421 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 2026-02-10T11:42:30,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22 2026-02-10T11:42:30,426 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 2026-02-10T11:42:30,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f- 2026-02-10T11:42:30,429 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- 2026-02-10T11:42:30,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S 2026-02-10T11:42:30,434 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 2026-02-10T11:42:30,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:30,438 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 2026-02-10T11:42:30,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts 2026-02-10T11:42:30,443 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 2026-02-10T11:42:30,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:30,447 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 2026-02-10T11:42:30,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:30,451 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 2026-02-10T11:42:30,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco 2026-02-10T11:42:30,455 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 2026-02-10T11:42:30,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15 2026-02-10T11:42:30,459 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 2026-02-10T11:42:30,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2 2026-02-10T11:42:30,462 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 2026-02-10T11:42:30,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06 2026-02-10T11:42:30,467 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 2026-02-10T11:42:30,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13 2026-02-10T11:42:30,471 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 2026-02-10T11:42:30,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11 2026-02-10T11:42:30,475 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 2026-02-10T11:42:30,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08 2026-02-10T11:42:30,479 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 2026-02-10T11:42:30,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf 2026-02-10T11:42:30,483 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 2026-02-10T11:42:30,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts 2026-02-10T11:42:30,488 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 2026-02-10T11:42:30,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O 2026-02-10T11:42:30,492 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 2026-02-10T11:42:30,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:30,496 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 2026-02-10T11:42:30,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H 2026-02-10T11:42:30,499 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 2026-02-10T11:42:30,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl 2026-02-10T11:42:30,504 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 2026-02-10T11:42:30,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:30,508 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 2026-02-10T11:42:30,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f 2026-02-10T11:42:30,511 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 2026-02-10T11:42:30,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12 2026-02-10T11:42:30,515 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 2026-02-10T11:42:30,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots 2026-02-10T11:42:30,519 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 2026-02-10T11:42:30,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:30,523 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 2026-02-10T11:42:30,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01 2026-02-10T11:42:30,527 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 2026-02-10T11:42:30,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2 2026-02-10T11:42:30,531 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 2026-02-10T11:42:30,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3 2026-02-10T11:42:30,536 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 2026-02-10T11:42:30,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O 2026-02-10T11:42:30,540 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 2026-02-10T11:42:30,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh 2026-02-10T11:42:30,544 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 2026-02-10T11:42:30,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:30,547 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 2026-02-10T11:42:30,550 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:30,551 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 2026-02-10T11:42:30,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:30,556 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 2026-02-10T11:42:30,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6 2026-02-10T11:42:30,560 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 2026-02-10T11:42:30,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:30,564 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 2026-02-10T11:42:30,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03 2026-02-10T11:42:30,568 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 2026-02-10T11:42:30,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3 2026-02-10T11:42:30,573 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 2026-02-10T11:42:30,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:30,576 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 2026-02-10T11:42:30,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09 2026-02-10T11:42:30,579 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 2026-02-10T11:42:30,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h 2026-02-10T11:42:30,583 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 2026-02-10T11:42:30,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:30,587 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 2026-02-10T11:42:30,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21 2026-02-10T11:42:30,590 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 2026-02-10T11:42:30,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA 2026-02-10T11:42:30,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:30,598 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 2026-02-10T11:42:30,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:30,602 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 2026-02-10T11:42:30,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:30,607 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 2026-02-10T11:42:30,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:30,611 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 2026-02-10T11:42:30,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:30,616 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 2026-02-10T11:42:30,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:30,620 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 2026-02-10T11:42:30,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:30,624 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 2026-02-10T11:42:30,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:30,629 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 2026-02-10T11:42:30,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:30,633 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- 2026-02-10T11:42:30,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:30,636 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 2026-02-10T11:42:30,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:30,639 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 2026-02-10T11:42:30,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:30,644 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 2026-02-10T11:42:30,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:30,648 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 2026-02-10T11:42:30,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:30,654 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 2026-02-10T11:42:30,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:30,658 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 2026-02-10T11:42:30,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:30,661 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 2026-02-10T11:42:30,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:30,665 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- 2026-02-10T11:42:30,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:30,669 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 2026-02-10T11:42:30,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:30,673 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- 2026-02-10T11:42:30,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:30,677 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 2026-02-10T11:42:30,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:30,683 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 2026-02-10T11:42:30,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:30,687 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 2026-02-10T11:42:30,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:30,691 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 2026-02-10T11:42:30,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:30,696 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 2026-02-10T11:42:30,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:30,700 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 2026-02-10T11:42:30,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:30,704 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 2026-02-10T11:42:30,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:30,709 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 2026-02-10T11:42:30,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:30,712 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 2026-02-10T11:42:30,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:30,716 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 2026-02-10T11:42:30,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:30,719 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 2026-02-10T11:42:30,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:30,723 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 2026-02-10T11:42:30,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:30,726 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 2026-02-10T11:42:30,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:30,731 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 2026-02-10T11:42:30,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:30,735 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- 2026-02-10T11:42:30,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:30,740 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 2026-02-10T11:42:30,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:30,744 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 2026-02-10T11:42:30,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:30,749 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 2026-02-10T11:42:30,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:30,753 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 2026-02-10T11:42:30,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:30,757 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 2026-02-10T11:42:30,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:30,761 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 2026-02-10T11:42:30,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:30,765 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- 2026-02-10T11:42:30,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:30,770 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 2026-02-10T11:42:30,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:30,775 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 2026-02-10T11:42:30,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:30,778 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 2026-02-10T11:42:30,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:30,782 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 2026-02-10T11:42:30,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:30,785 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- 2026-02-10T11:42:30,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:30,789 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- 2026-02-10T11:42:30,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:30,793 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 2026-02-10T11:42:30,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:30,797 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 2026-02-10T11:42:30,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:30,801 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 2026-02-10T11:42:30,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF 2026-02-10T11:42:30,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8 2026-02-10T11:42:30,808 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 2026-02-10T11:42:30,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30 2026-02-10T11:42:30,811 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 2026-02-10T11:42:30,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43 2026-02-10T11:42:30,815 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 2026-02-10T11:42:30,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19 2026-02-10T11:42:30,820 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 2026-02-10T11:42:30,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33 2026-02-10T11:42:30,824 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 2026-02-10T11:42:30,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16 2026-02-10T11:42:30,827 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 2026-02-10T11:42:30,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9 2026-02-10T11:42:30,831 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 2026-02-10T11:42:30,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42 2026-02-10T11:42:30,835 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 2026-02-10T11:42:30,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41 2026-02-10T11:42:30,839 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 2026-02-10T11:42:30,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45 2026-02-10T11:42:30,843 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 2026-02-10T11:42:30,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22 2026-02-10T11:42:30,846 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 2026-02-10T11:42:30,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28 2026-02-10T11:42:30,850 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 2026-02-10T11:42:30,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36 2026-02-10T11:42:30,853 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 2026-02-10T11:42:30,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25 2026-02-10T11:42:30,857 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 2026-02-10T11:42:30,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12 2026-02-10T11:42:30,861 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 2026-02-10T11:42:30,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23 2026-02-10T11:42:30,864 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 2026-02-10T11:42:30,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48 2026-02-10T11:42:30,868 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 2026-02-10T11:42:30,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52 2026-02-10T11:42:30,872 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 2026-02-10T11:42:30,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49 2026-02-10T11:42:30,876 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 2026-02-10T11:42:30,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20 2026-02-10T11:42:30,880 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 2026-02-10T11:42:30,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4 2026-02-10T11:42:30,885 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 2026-02-10T11:42:30,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24 2026-02-10T11:42:30,889 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 2026-02-10T11:42:30,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40 2026-02-10T11:42:30,892 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 2026-02-10T11:42:30,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3 2026-02-10T11:42:30,896 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 2026-02-10T11:42:30,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47 2026-02-10T11:42:30,900 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 2026-02-10T11:42:30,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14 2026-02-10T11:42:30,903 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 2026-02-10T11:42:30,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51 2026-02-10T11:42:30,908 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 2026-02-10T11:42:30,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50 2026-02-10T11:42:30,912 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 2026-02-10T11:42:30,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2 2026-02-10T11:42:30,917 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 2026-02-10T11:42:30,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44 2026-02-10T11:42:30,921 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 2026-02-10T11:42:30,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7 2026-02-10T11:42:30,925 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 2026-02-10T11:42:30,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35 2026-02-10T11:42:30,929 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 2026-02-10T11:42:30,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32 2026-02-10T11:42:30,933 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 2026-02-10T11:42:30,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21 2026-02-10T11:42:30,937 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 2026-02-10T11:42:30,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37 2026-02-10T11:42:30,941 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 2026-02-10T11:42:30,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11 2026-02-10T11:42:30,945 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 2026-02-10T11:42:30,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5 2026-02-10T11:42:30,949 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 2026-02-10T11:42:30,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38 2026-02-10T11:42:30,953 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 2026-02-10T11:42:30,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1 2026-02-10T11:42:30,957 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 2026-02-10T11:42:30,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46 2026-02-10T11:42:30,961 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 2026-02-10T11:42:30,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29 2026-02-10T11:42:30,965 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 2026-02-10T11:42:30,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18 2026-02-10T11:42:30,969 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 2026-02-10T11:42:30,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17 2026-02-10T11:42:30,973 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 2026-02-10T11:42:30,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6 2026-02-10T11:42:30,977 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 2026-02-10T11:42:30,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26 2026-02-10T11:42:30,981 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 2026-02-10T11:42:30,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10 2026-02-10T11:42:30,985 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 2026-02-10T11:42:30,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39 2026-02-10T11:42:30,988 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 2026-02-10T11:42:30,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13 2026-02-10T11:42:30,993 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 2026-02-10T11:42:30,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34 2026-02-10T11:42:30,997 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 2026-02-10T11:42:30,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15 2026-02-10T11:42:31,000 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 2026-02-10T11:42:31,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27 2026-02-10T11:42:31,005 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 2026-02-10T11:42:31,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31 2026-02-10T11:42:31,009 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 2026-02-10T11:42:31,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13 2026-02-10T11:42:31,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6 2026-02-10T11:42:31,017 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 2026-02-10T11:42:31,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3 2026-02-10T11:42:31,021 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 2026-02-10T11:42:31,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4 2026-02-10T11:42:31,026 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 2026-02-10T11:42:31,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen 2026-02-10T11:42:31,030 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 2026-02-10T11:42:31,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:31,035 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 2026-02-10T11:42:31,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen 2026-02-10T11:42:31,039 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 2026-02-10T11:42:31,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:31,044 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 2026-02-10T11:42:31,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2 2026-02-10T11:42:31,049 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 2026-02-10T11:42:31,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2 2026-02-10T11:42:31,053 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 2026-02-10T11:42:31,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4 2026-02-10T11:42:31,059 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 2026-02-10T11:42:31,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:31,064 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 2026-02-10T11:42:31,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2 2026-02-10T11:42:31,068 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 2026-02-10T11:42:31,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb 2026-02-10T11:42:31,072 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 2026-02-10T11:42:31,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:31,077 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 2026-02-10T11:42:31,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:31,083 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 2026-02-10T11:42:31,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage 2026-02-10T11:42:31,088 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 2026-02-10T11:42:31,091 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:31,093 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 2026-02-10T11:42:31,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip 2026-02-10T11:42:31,097 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 2026-02-10T11:42:31,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:31,102 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 2026-02-10T11:42:31,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:31,106 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 2026-02-10T11:42:31,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:31,111 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 2026-02-10T11:42:31,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:31,116 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 2026-02-10T11:42:31,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8 2026-02-10T11:42:31,121 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 2026-02-10T11:42:31,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:31,126 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 2026-02-10T11:42:31,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:31,131 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 2026-02-10T11:42:31,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL 2026-02-10T11:42:31,136 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 2026-02-10T11:42:31,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:31,141 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 2026-02-10T11:42:31,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be 2026-02-10T11:42:31,146 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 2026-02-10T11:42:31,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:31,150 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 2026-02-10T11:42:31,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:31,154 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 2026-02-10T11:42:31,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4 2026-02-10T11:42:31,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:42:31,160 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 2026-02-10T11:42:31,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he 2026-02-10T11:42:31,163 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 2026-02-10T11:42:31,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:42:31,167 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 2026-02-10T11:42:31,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:42:31,172 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 2026-02-10T11:42:31,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:42:31,176 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 2026-02-10T11:42:31,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:42:31,180 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 2026-02-10T11:42:31,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:42:31,183 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 2026-02-10T11:42:31,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:42:31,187 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 2026-02-10T11:42:31,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:42:31,191 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 2026-02-10T11:42:31,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:42:31,195 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 2026-02-10T11:42:31,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:42:31,199 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 2026-02-10T11:42:31,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:42:31,203 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 2026-02-10T11:42:31,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:42:31,208 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 2026-02-10T11:42:31,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:31,212 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+ 2026-02-10T11:42:31,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:31,216 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 2026-02-10T11:42:31,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:31,220 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+ 2026-02-10T11:42:31,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:42:31,224 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 2026-02-10T11:42:31,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:42:31,229 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 2026-02-10T11:42:31,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:31,233 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+ 2026-02-10T11:42:31,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:42:31,238 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 2026-02-10T11:42:31,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:31,241 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 2026-02-10T11:42:31,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:42:31,245 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 2026-02-10T11:42:31,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h 2026-02-10T11:42:31,248 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 2026-02-10T11:42:31,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21 2026-02-10T11:42:31,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444 2026-02-10T11:42:31,253 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 2026-02-10T11:42:31,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366 2026-02-10T11:42:31,257 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 2026-02-10T11:42:31,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114 2026-02-10T11:42:31,261 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 2026-02-10T11:42:31,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:31,266 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 2026-02-10T11:42:31,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99 2026-02-10T11:42:31,270 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 2026-02-10T11:42:31,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224 2026-02-10T11:42:31,275 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 2026-02-10T11:42:31,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:31,279 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 2026-02-10T11:42:31,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:31,283 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 2026-02-10T11:42:31,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:31,288 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 2026-02-10T11:42:31,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691 2026-02-10T11:42:31,292 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 2026-02-10T11:42:31,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357 2026-02-10T11:42:31,296 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 2026-02-10T11:42:31,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:31,300 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 2026-02-10T11:42:31,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215 2026-02-10T11:42:31,303 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 2026-02-10T11:42:31,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:31,307 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 2026-02-10T11:42:31,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:31,311 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 2026-02-10T11:42:31,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412 2026-02-10T11:42:31,315 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 2026-02-10T11:42:31,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:31,319 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 2026-02-10T11:42:31,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470 2026-02-10T11:42:31,323 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 2026-02-10T11:42:31,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300 2026-02-10T11:42:31,328 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 2026-02-10T11:42:31,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:31,332 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 2026-02-10T11:42:31,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:31,336 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 2026-02-10T11:42:31,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24 2026-02-10T11:42:31,341 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:31,342 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 2026-02-10T11:42:31,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:31,346 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 2026-02-10T11:42:31,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:31,351 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 2026-02-10T11:42:31,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:31,355 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 2026-02-10T11:42:31,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:31,360 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 2026-02-10T11:42:31,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:31,364 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 2026-02-10T11:42:31,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:31,368 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 2026-02-10T11:42:31,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:31,371 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 2026-02-10T11:42:31,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:31,375 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 2026-02-10T11:42:31,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:31,379 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 2026-02-10T11:42:31,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:31,383 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 2026-02-10T11:42:31,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:31,387 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 2026-02-10T11:42:31,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:31,391 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 2026-02-10T11:42:31,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:31,396 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 2026-02-10T11:42:31,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:31,399 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 2026-02-10T11:42:31,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:31,404 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 2026-02-10T11:42:31,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:31,408 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 2026-02-10T11:42:31,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:31,413 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 2026-02-10T11:42:31,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:31,417 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 2026-02-10T11:42:31,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:31,422 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 2026-02-10T11:42:31,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:31,427 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 2026-02-10T11:42:31,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:31,432 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 2026-02-10T11:42:31,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:31,436 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 2026-02-10T11:42:31,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:31,441 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 2026-02-10T11:42:31,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:31,445 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 2026-02-10T11:42:31,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:31,448 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 2026-02-10T11:42:31,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:31,452 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 2026-02-10T11:42:31,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:31,455 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 2026-02-10T11:42:31,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:31,459 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 2026-02-10T11:42:31,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:31,463 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 2026-02-10T11:42:31,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:31,466 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 2026-02-10T11:42:31,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:31,470 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 2026-02-10T11:42:31,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:31,474 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 2026-02-10T11:42:31,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:31,478 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 2026-02-10T11:42:31,480 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:31,481 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 2026-02-10T11:42:31,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:31,485 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 2026-02-10T11:42:31,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:31,489 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 2026-02-10T11:42:31,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:31,493 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 2026-02-10T11:42:31,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:31,497 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 2026-02-10T11:42:31,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:31,501 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 2026-02-10T11:42:31,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:31,504 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 2026-02-10T11:42:31,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:31,509 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 2026-02-10T11:42:31,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:31,512 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 2026-02-10T11:42:31,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:31,516 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 2026-02-10T11:42:31,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:31,521 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 2026-02-10T11:42:31,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:31,524 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 2026-02-10T11:42:31,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:31,528 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 2026-02-10T11:42:31,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:31,533 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 2026-02-10T11:42:31,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI 2026-02-10T11:42:31,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:31,540 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 2026-02-10T11:42:31,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:31,544 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 2026-02-10T11:42:31,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:31,547 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 2026-02-10T11:42:31,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:31,550 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 2026-02-10T11:42:31,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:31,554 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 2026-02-10T11:42:31,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:31,558 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 2026-02-10T11:42:31,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:31,561 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 2026-02-10T11:42:31,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:31,565 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 2026-02-10T11:42:31,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:31,570 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 2026-02-10T11:42:31,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:42:31,573 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 2026-02-10T11:42:31,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:31,577 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 2026-02-10T11:42:31,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:42:31,581 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 2026-02-10T11:42:31,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:42:31,584 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 2026-02-10T11:42:31,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:31,588 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 2026-02-10T11:42:31,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:31,591 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 2026-02-10T11:42:31,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r 2026-02-10T11:42:31,595 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 2026-02-10T11:42:31,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:31,598 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 2026-02-10T11:42:31,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:42:31,601 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 2026-02-10T11:42:31,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:31,605 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 2026-02-10T11:42:31,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r 2026-02-10T11:42:31,608 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 2026-02-10T11:42:31,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:31,612 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 2026-02-10T11:42:31,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:31,617 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 2026-02-10T11:42:31,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:31,620 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 2026-02-10T11:42:31,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:31,625 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 2026-02-10T11:42:31,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:31,628 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 2026-02-10T11:42:31,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:31,632 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 2026-02-10T11:42:31,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:31,635 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 2026-02-10T11:42:31,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r 2026-02-10T11:42:31,638 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 2026-02-10T11:42:31,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:31,642 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 2026-02-10T11:42:31,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:31,645 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 2026-02-10T11:42:31,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r 2026-02-10T11:42:31,648 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 2026-02-10T11:42:31,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:31,652 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 2026-02-10T11:42:31,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:31,656 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 2026-02-10T11:42:31,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:31,660 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 2026-02-10T11:42:31,663 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r 2026-02-10T11:42:31,664 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 2026-02-10T11:42:31,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:31,668 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 2026-02-10T11:42:31,671 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:31,672 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 2026-02-10T11:42:31,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:31,675 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 2026-02-10T11:42:31,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:31,679 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 2026-02-10T11:42:31,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:31,682 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 2026-02-10T11:42:31,685 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:31,686 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 2026-02-10T11:42:31,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:31,690 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 2026-02-10T11:42:31,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:31,694 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 2026-02-10T11:42:31,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:31,698 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 2026-02-10T11:42:31,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:42:31,702 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 2026-02-10T11:42:31,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:31,706 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 2026-02-10T11:42:31,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:31,711 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 2026-02-10T11:42:31,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:31,715 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 2026-02-10T11:42:31,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r 2026-02-10T11:42:31,719 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 2026-02-10T11:42:31,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r 2026-02-10T11:42:31,723 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 2026-02-10T11:42:31,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:31,726 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 2026-02-10T11:42:31,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:31,730 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 2026-02-10T11:42:31,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:31,734 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 2026-02-10T11:42:31,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r 2026-02-10T11:42:31,737 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 2026-02-10T11:42:31,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:31,741 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 2026-02-10T11:42:31,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:31,744 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 2026-02-10T11:42:31,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:31,748 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 2026-02-10T11:42:31,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:42:31,752 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 2026-02-10T11:42:31,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:31,757 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 2026-02-10T11:42:31,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:42:31,762 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 2026-02-10T11:42:31,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:31,766 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 2026-02-10T11:42:31,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34 2026-02-10T11:42:31,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27 2026-02-10T11:42:31,772 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 2026-02-10T11:42:31,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32 2026-02-10T11:42:31,776 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 2026-02-10T11:42:31,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34 2026-02-10T11:42:31,780 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 2026-02-10T11:42:31,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22 2026-02-10T11:42:31,785 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 2026-02-10T11:42:31,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31 2026-02-10T11:42:31,789 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 2026-02-10T11:42:31,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21 2026-02-10T11:42:31,794 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 2026-02-10T11:42:31,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34 2026-02-10T11:42:31,798 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 2026-02-10T11:42:31,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7 2026-02-10T11:42:31,804 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 2026-02-10T11:42:31,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9 2026-02-10T11:42:31,809 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 2026-02-10T11:42:31,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29 2026-02-10T11:42:31,813 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 2026-02-10T11:42:31,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26 2026-02-10T11:42:31,818 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 2026-02-10T11:42:31,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14 2026-02-10T11:42:31,823 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 2026-02-10T11:42:31,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1 2026-02-10T11:42:31,828 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 2026-02-10T11:42:31,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26 2026-02-10T11:42:31,833 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 2026-02-10T11:42:31,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9 2026-02-10T11:42:31,837 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 2026-02-10T11:42:31,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32 2026-02-10T11:42:31,842 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 2026-02-10T11:42:31,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31 2026-02-10T11:42:31,847 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 2026-02-10T11:42:31,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19 2026-02-10T11:42:31,852 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 2026-02-10T11:42:31,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18 2026-02-10T11:42:31,857 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 2026-02-10T11:42:31,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16 2026-02-10T11:42:31,862 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 2026-02-10T11:42:31,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21 2026-02-10T11:42:31,866 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 2026-02-10T11:42:31,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1 2026-02-10T11:42:31,877 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 2026-02-10T11:42:31,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18 2026-02-10T11:42:31,881 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 2026-02-10T11:42:31,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12 2026-02-10T11:42:31,885 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 2026-02-10T11:42:31,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29 2026-02-10T11:42:31,890 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 2026-02-10T11:42:31,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2 2026-02-10T11:42:31,894 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 2026-02-10T11:42:31,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17 2026-02-10T11:42:31,900 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 2026-02-10T11:42:31,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25 2026-02-10T11:42:31,904 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 2026-02-10T11:42:31,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27 2026-02-10T11:42:31,909 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 2026-02-10T11:42:31,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3 2026-02-10T11:42:31,913 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 2026-02-10T11:42:31,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24 2026-02-10T11:42:31,917 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 2026-02-10T11:42:31,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10 2026-02-10T11:42:31,923 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 2026-02-10T11:42:31,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13 2026-02-10T11:42:31,928 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 2026-02-10T11:42:31,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20 2026-02-10T11:42:31,932 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 2026-02-10T11:42:31,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30 2026-02-10T11:42:31,940 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 2026-02-10T11:42:31,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33 2026-02-10T11:42:31,944 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 2026-02-10T11:42:31,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4 2026-02-10T11:42:31,948 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 2026-02-10T11:42:31,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8 2026-02-10T11:42:31,952 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 2026-02-10T11:42:31,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15 2026-02-10T11:42:31,955 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 2026-02-10T11:42:31,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3 2026-02-10T11:42:31,959 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 2026-02-10T11:42:31,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23 2026-02-10T11:42:31,963 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 2026-02-10T11:42:31,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24 2026-02-10T11:42:31,968 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 2026-02-10T11:42:31,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11 2026-02-10T11:42:31,973 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 2026-02-10T11:42:31,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12 2026-02-10T11:42:31,976 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 2026-02-10T11:42:31,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23 2026-02-10T11:42:31,981 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 2026-02-10T11:42:31,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4 2026-02-10T11:42:31,985 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 2026-02-10T11:42:31,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15 2026-02-10T11:42:31,992 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 2026-02-10T11:42:31,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28 2026-02-10T11:42:31,997 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 2026-02-10T11:42:32,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33 2026-02-10T11:42:32,003 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 2026-02-10T11:42:32,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5 2026-02-10T11:42:32,008 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 2026-02-10T11:42:32,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11 2026-02-10T11:42:32,012 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 2026-02-10T11:42:32,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14 2026-02-10T11:42:32,017 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 2026-02-10T11:42:32,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20 2026-02-10T11:42:32,022 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 2026-02-10T11:42:32,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16 2026-02-10T11:42:32,026 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 2026-02-10T11:42:32,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28 2026-02-10T11:42:32,030 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 2026-02-10T11:42:32,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17 2026-02-10T11:42:32,034 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 2026-02-10T11:42:32,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25 2026-02-10T11:42:32,038 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 2026-02-10T11:42:32,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30 2026-02-10T11:42:32,042 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 2026-02-10T11:42:32,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7 2026-02-10T11:42:32,047 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 2026-02-10T11:42:32,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8 2026-02-10T11:42:32,051 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 2026-02-10T11:42:32,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13 2026-02-10T11:42:32,056 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 2026-02-10T11:42:32,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6 2026-02-10T11:42:32,061 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 2026-02-10T11:42:32,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10 2026-02-10T11:42:32,065 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 2026-02-10T11:42:32,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18 2026-02-10T11:42:32,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:32,072 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 2026-02-10T11:42:32,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:32,077 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 2026-02-10T11:42:32,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:32,081 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 2026-02-10T11:42:32,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:32,085 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 2026-02-10T11:42:32,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:32,089 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 2026-02-10T11:42:32,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:32,093 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 2026-02-10T11:42:32,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:32,098 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 2026-02-10T11:42:32,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:32,102 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 2026-02-10T11:42:32,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:32,107 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 2026-02-10T11:42:32,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:32,111 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 2026-02-10T11:42:32,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:32,115 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 2026-02-10T11:42:32,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:32,118 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 2026-02-10T11:42:32,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:32,121 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 2026-02-10T11:42:32,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:32,125 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 2026-02-10T11:42:32,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:32,129 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 2026-02-10T11:42:32,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:32,134 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 2026-02-10T11:42:32,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:32,138 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 2026-02-10T11:42:32,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:32,142 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 2026-02-10T11:42:32,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:32,145 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 2026-02-10T11:42:32,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:32,150 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 2026-02-10T11:42:32,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:32,154 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 2026-02-10T11:42:32,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:32,158 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 2026-02-10T11:42:32,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:32,163 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 2026-02-10T11:42:32,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:32,167 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 2026-02-10T11:42:32,169 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:32,170 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 2026-02-10T11:42:32,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:32,173 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 2026-02-10T11:42:32,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:32,177 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 2026-02-10T11:42:32,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:32,180 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 2026-02-10T11:42:32,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10 2026-02-10T11:42:32,185 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:32,186 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 2026-02-10T11:42:32,189 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:32,190 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 2026-02-10T11:42:32,193 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:32,195 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 2026-02-10T11:42:32,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:32,199 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 2026-02-10T11:42:32,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:32,203 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 2026-02-10T11:42:32,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:32,207 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 2026-02-10T11:42:32,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:32,211 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 2026-02-10T11:42:32,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:32,216 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 2026-02-10T11:42:32,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:32,220 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 2026-02-10T11:42:32,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:32,225 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 2026-02-10T11:42:32,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:32,229 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 2026-02-10T11:42:32,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:32,234 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 2026-02-10T11:42:32,237 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:32,238 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 2026-02-10T11:42:32,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:32,243 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 2026-02-10T11:42:32,246 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:32,247 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 2026-02-10T11:42:32,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:32,252 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 2026-02-10T11:42:32,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:32,256 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 2026-02-10T11:42:32,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:32,260 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 2026-02-10T11:42:32,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:32,265 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 2026-02-10T11:42:32,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:32,270 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 2026-02-10T11:42:32,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36 2026-02-10T11:42:32,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4 2026-02-10T11:42:32,277 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 2026-02-10T11:42:32,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15 2026-02-10T11:42:32,282 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 2026-02-10T11:42:32,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1 2026-02-10T11:42:32,286 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 2026-02-10T11:42:32,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:32,291 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 2026-02-10T11:42:32,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7 2026-02-10T11:42:32,295 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 2026-02-10T11:42:32,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8 2026-02-10T11:42:32,300 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 2026-02-10T11:42:32,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1 2026-02-10T11:42:32,304 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 2026-02-10T11:42:32,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12 2026-02-10T11:42:32,308 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 2026-02-10T11:42:32,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13 2026-02-10T11:42:32,312 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 2026-02-10T11:42:32,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16 2026-02-10T11:42:32,315 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 2026-02-10T11:42:32,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2 2026-02-10T11:42:32,319 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 2026-02-10T11:42:32,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9 2026-02-10T11:42:32,323 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 2026-02-10T11:42:32,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4 2026-02-10T11:42:32,326 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 2026-02-10T11:42:32,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13 2026-02-10T11:42:32,329 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 2026-02-10T11:42:32,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5 2026-02-10T11:42:32,332 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 2026-02-10T11:42:32,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11 2026-02-10T11:42:32,336 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 2026-02-10T11:42:32,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6 2026-02-10T11:42:32,339 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 2026-02-10T11:42:32,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14 2026-02-10T11:42:32,343 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 2026-02-10T11:42:32,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10 2026-02-10T11:42:32,347 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 2026-02-10T11:42:32,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2 2026-02-10T11:42:32,351 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 2026-02-10T11:42:32,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3 2026-02-10T11:42:32,356 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 2026-02-10T11:42:32,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7 2026-02-10T11:42:32,360 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 2026-02-10T11:42:32,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10 2026-02-10T11:42:32,365 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 2026-02-10T11:42:32,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4 2026-02-10T11:42:32,369 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 2026-02-10T11:42:32,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6 2026-02-10T11:42:32,373 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 2026-02-10T11:42:32,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1 2026-02-10T11:42:32,376 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 2026-02-10T11:42:32,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14 2026-02-10T11:42:32,380 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 2026-02-10T11:42:32,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15 2026-02-10T11:42:32,383 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 2026-02-10T11:42:32,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5 2026-02-10T11:42:32,387 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 2026-02-10T11:42:32,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2 2026-02-10T11:42:32,391 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 2026-02-10T11:42:32,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8 2026-02-10T11:42:32,395 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 2026-02-10T11:42:32,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3 2026-02-10T11:42:32,399 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 2026-02-10T11:42:32,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12 2026-02-10T11:42:32,403 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 2026-02-10T11:42:32,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11 2026-02-10T11:42:32,407 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 2026-02-10T11:42:32,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4 2026-02-10T11:42:32,411 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 2026-02-10T11:42:32,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3 2026-02-10T11:42:32,415 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 2026-02-10T11:42:32,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9 2026-02-10T11:42:32,419 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 2026-02-10T11:42:32,422 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5 2026-02-10T11:42:32,423 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 2026-02-10T11:42:32,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8 2026-02-10T11:42:32,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h 2026-02-10T11:42:32,429 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 2026-02-10T11:42:32,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:32,434 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 2026-02-10T11:42:32,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:42:32,439 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 2026-02-10T11:42:32,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:32,443 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 2026-02-10T11:42:32,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:32,448 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 2026-02-10T11:42:32,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8 2026-02-10T11:42:32,452 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 2026-02-10T11:42:32,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:32,457 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 2026-02-10T11:42:32,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2 2026-02-10T11:42:32,461 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 2026-02-10T11:42:32,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+ 2026-02-10T11:42:32,465 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+ 2026-02-10T11:42:32,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:32,469 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 2026-02-10T11:42:32,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me 2026-02-10T11:42:32,473 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 2026-02-10T11:42:32,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2 2026-02-10T11:42:32,477 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 2026-02-10T11:42:32,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:42:32,482 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 2026-02-10T11:42:32,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8 2026-02-10T11:42:32,487 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 2026-02-10T11:42:32,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+ 2026-02-10T11:42:32,491 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+ 2026-02-10T11:42:32,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:32,496 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 2026-02-10T11:42:32,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:32,501 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 2026-02-10T11:42:32,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6 2026-02-10T11:42:32,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:32,508 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 2026-02-10T11:42:32,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:32,512 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 2026-02-10T11:42:32,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:32,517 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 2026-02-10T11:42:32,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:32,521 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 2026-02-10T11:42:32,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:32,525 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 2026-02-10T11:42:32,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:32,529 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 2026-02-10T11:42:32,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:32,534 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 2026-02-10T11:42:32,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:32,539 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 2026-02-10T11:42:32,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:32,544 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:32,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:32,549 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 2026-02-10T11:42:32,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:32,553 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 2026-02-10T11:42:32,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:32,558 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 2026-02-10T11:42:32,561 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23 2026-02-10T11:42:32,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c 2026-02-10T11:42:32,564 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 2026-02-10T11:42:32,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a 2026-02-10T11:42:32,568 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 2026-02-10T11:42:32,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b 2026-02-10T11:42:32,572 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 2026-02-10T11:42:32,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z 2026-02-10T11:42:32,577 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 2026-02-10T11:42:32,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f 2026-02-10T11:42:32,581 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 2026-02-10T11:42:32,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a 2026-02-10T11:42:32,584 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 2026-02-10T11:42:32,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa 2026-02-10T11:42:32,588 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 2026-02-10T11:42:32,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a 2026-02-10T11:42:32,593 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 2026-02-10T11:42:32,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b 2026-02-10T11:42:32,598 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 2026-02-10T11:42:32,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d 2026-02-10T11:42:32,601 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 2026-02-10T11:42:32,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m 2026-02-10T11:42:32,605 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 2026-02-10T11:42:32,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p 2026-02-10T11:42:32,609 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 2026-02-10T11:42:32,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p 2026-02-10T11:42:32,613 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 2026-02-10T11:42:32,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g 2026-02-10T11:42:32,617 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 2026-02-10T11:42:32,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a 2026-02-10T11:42:32,622 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 2026-02-10T11:42:32,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a 2026-02-10T11:42:32,626 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 2026-02-10T11:42:32,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d 2026-02-10T11:42:32,631 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 2026-02-10T11:42:32,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p 2026-02-10T11:42:32,635 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 2026-02-10T11:42:32,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p 2026-02-10T11:42:32,639 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 2026-02-10T11:42:32,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a 2026-02-10T11:42:32,643 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 2026-02-10T11:42:32,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b 2026-02-10T11:42:32,648 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 2026-02-10T11:42:32,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h 2026-02-10T11:42:32,653 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 2026-02-10T11:42:32,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e 2026-02-10T11:42:32,657 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 2026-02-10T11:42:32,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b 2026-02-10T11:42:32,663 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 2026-02-10T11:42:32,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF 2026-02-10T11:42:32,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:32,674 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 2026-02-10T11:42:32,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:32,679 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 2026-02-10T11:42:32,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:32,684 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 2026-02-10T11:42:32,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:32,690 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 2026-02-10T11:42:32,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:32,695 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 2026-02-10T11:42:32,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:32,701 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 2026-02-10T11:42:32,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:32,706 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 2026-02-10T11:42:32,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:32,712 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 2026-02-10T11:42:32,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:32,717 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 2026-02-10T11:42:32,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:32,722 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 2026-02-10T11:42:32,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:32,726 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 2026-02-10T11:42:32,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:32,731 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 2026-02-10T11:42:32,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:32,736 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 2026-02-10T11:42:32,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:32,742 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 2026-02-10T11:42:32,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:32,746 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 2026-02-10T11:42:32,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:32,752 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 2026-02-10T11:42:32,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:32,756 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 2026-02-10T11:42:32,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:32,761 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 2026-02-10T11:42:32,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:32,766 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 2026-02-10T11:42:32,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:32,770 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 2026-02-10T11:42:32,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:32,774 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 2026-02-10T11:42:32,778 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:32,779 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 2026-02-10T11:42:32,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:32,785 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 2026-02-10T11:42:32,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:32,790 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 2026-02-10T11:42:32,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:32,795 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 2026-02-10T11:42:32,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:32,801 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 2026-02-10T11:42:32,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:32,806 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 2026-02-10T11:42:32,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF 2026-02-10T11:42:32,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:42:32,815 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+ 2026-02-10T11:42:32,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:32,820 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 2026-02-10T11:42:32,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:32,825 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 2026-02-10T11:42:32,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G 2026-02-10T11:42:32,830 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 2026-02-10T11:42:32,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T 2026-02-10T11:42:32,835 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 2026-02-10T11:42:32,838 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:32,839 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 2026-02-10T11:42:32,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:42:32,845 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+ 2026-02-10T11:42:32,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:42:32,849 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- 2026-02-10T11:42:32,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:32,853 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 2026-02-10T11:42:32,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:42:32,857 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- 2026-02-10T11:42:32,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:32,860 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 2026-02-10T11:42:32,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:42:32,864 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- 2026-02-10T11:42:32,867 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:32,868 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 2026-02-10T11:42:32,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:32,872 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 2026-02-10T11:42:32,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:32,876 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 2026-02-10T11:42:32,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:32,880 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 2026-02-10T11:42:32,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:32,884 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 2026-02-10T11:42:32,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:42:32,888 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- 2026-02-10T11:42:32,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY 2026-02-10T11:42:32,892 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 2026-02-10T11:42:32,894 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 2026-02-10T11:42:32,896 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 2026-02-10T11:42:32,898 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 2026-02-10T11:42:32,900 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 2026-02-10T11:42:32,901 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 2026-02-10T11:42:32,903 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 2026-02-10T11:42:32,905 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 2026-02-10T11:42:32,907 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 2026-02-10T11:42:32,909 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 2026-02-10T11:42:32,911 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 2026-02-10T11:42:32,913 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 2026-02-10T11:42:32,915 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 2026-02-10T11:42:32,917 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 2026-02-10T11:42:32,919 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 2026-02-10T11:42:32,922 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 2026-02-10T11:42:32,923 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 2026-02-10T11:42:32,925 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 2026-02-10T11:42:32,927 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 2026-02-10T11:42:32,929 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 2026-02-10T11:42:32,930 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 2026-02-10T11:42:32,932 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 2026-02-10T11:42:32,934 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 2026-02-10T11:42:32,936 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 2026-02-10T11:42:32,938 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 2026-02-10T11:42:32,940 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 2026-02-10T11:42:32,942 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 2026-02-10T11:42:32,944 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 2026-02-10T11:42:32,946 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 2026-02-10T11:42:32,949 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 2026-02-10T11:42:32,951 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 2026-02-10T11:42:32,953 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 2026-02-10T11:42:32,955 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 2026-02-10T11:42:32,956 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 2026-02-10T11:42:32,959 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 2026-02-10T11:42:32,960 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 2026-02-10T11:42:32,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05 2026-02-10T11:42:32,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,967 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,970 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,972 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,974 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,976 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,978 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,980 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,982 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,984 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,987 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,989 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,991 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,994 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,996 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:32,998 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,000 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,002 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,004 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,006 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,008 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,010 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,011 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY 2026-02-10T11:42:33,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES 2026-02-10T11:42:33,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43 2026-02-10T11:42:33,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30 2026-02-10T11:42:33,020 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 2026-02-10T11:42:33,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43 2026-02-10T11:42:33,023 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 2026-02-10T11:42:33,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2 2026-02-10T11:42:33,027 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 2026-02-10T11:42:33,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19 2026-02-10T11:42:33,031 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 2026-02-10T11:42:33,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33 2026-02-10T11:42:33,034 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 2026-02-10T11:42:33,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16 2026-02-10T11:42:33,038 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 2026-02-10T11:42:33,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4 2026-02-10T11:42:33,042 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 2026-02-10T11:42:33,045 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42 2026-02-10T11:42:33,046 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 2026-02-10T11:42:33,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4 2026-02-10T11:42:33,049 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 2026-02-10T11:42:33,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41 2026-02-10T11:42:33,053 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 2026-02-10T11:42:33,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22 2026-02-10T11:42:33,058 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 2026-02-10T11:42:33,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28 2026-02-10T11:42:33,062 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 2026-02-10T11:42:33,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36 2026-02-10T11:42:33,066 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 2026-02-10T11:42:33,069 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25 2026-02-10T11:42:33,070 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 2026-02-10T11:42:33,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12 2026-02-10T11:42:33,074 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 2026-02-10T11:42:33,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23 2026-02-10T11:42:33,078 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 2026-02-10T11:42:33,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH 2026-02-10T11:42:33,083 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 2026-02-10T11:42:33,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20 2026-02-10T11:42:33,087 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 2026-02-10T11:42:33,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24 2026-02-10T11:42:33,091 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 2026-02-10T11:42:33,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04 2026-02-10T11:42:33,095 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 2026-02-10T11:42:33,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40 2026-02-10T11:42:33,098 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 2026-02-10T11:42:33,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09 2026-02-10T11:42:33,102 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 2026-02-10T11:42:33,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2 2026-02-10T11:42:33,105 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 2026-02-10T11:42:33,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06 2026-02-10T11:42:33,109 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 2026-02-10T11:42:33,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2 2026-02-10T11:42:33,112 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 2026-02-10T11:42:33,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14 2026-02-10T11:42:33,116 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 2026-02-10T11:42:33,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3 2026-02-10T11:42:33,119 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 2026-02-10T11:42:33,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2 2026-02-10T11:42:33,123 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 2026-02-10T11:42:33,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03 2026-02-10T11:42:33,127 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 2026-02-10T11:42:33,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35 2026-02-10T11:42:33,132 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 2026-02-10T11:42:33,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32 2026-02-10T11:42:33,136 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 2026-02-10T11:42:33,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2 2026-02-10T11:42:33,140 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 2026-02-10T11:42:33,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21 2026-02-10T11:42:33,145 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 2026-02-10T11:42:33,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2 2026-02-10T11:42:33,149 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 2026-02-10T11:42:33,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01 2026-02-10T11:42:33,154 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 2026-02-10T11:42:33,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08 2026-02-10T11:42:33,158 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 2026-02-10T11:42:33,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37 2026-02-10T11:42:33,163 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 2026-02-10T11:42:33,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11 2026-02-10T11:42:33,167 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 2026-02-10T11:42:33,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2 2026-02-10T11:42:33,172 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 2026-02-10T11:42:33,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38 2026-02-10T11:42:33,176 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 2026-02-10T11:42:33,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07 2026-02-10T11:42:33,180 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 2026-02-10T11:42:33,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29 2026-02-10T11:42:33,184 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 2026-02-10T11:42:33,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18 2026-02-10T11:42:33,187 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 2026-02-10T11:42:33,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17 2026-02-10T11:42:33,191 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 2026-02-10T11:42:33,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26 2026-02-10T11:42:33,195 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 2026-02-10T11:42:33,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10 2026-02-10T11:42:33,199 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 2026-02-10T11:42:33,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39 2026-02-10T11:42:33,203 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 2026-02-10T11:42:33,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2 2026-02-10T11:42:33,208 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 2026-02-10T11:42:33,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05 2026-02-10T11:42:33,212 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 2026-02-10T11:42:33,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02 2026-02-10T11:42:33,217 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 2026-02-10T11:42:33,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH 2026-02-10T11:42:33,221 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 2026-02-10T11:42:33,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13 2026-02-10T11:42:33,224 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 2026-02-10T11:42:33,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3 2026-02-10T11:42:33,228 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 2026-02-10T11:42:33,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34 2026-02-10T11:42:33,232 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 2026-02-10T11:42:33,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15 2026-02-10T11:42:33,236 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 2026-02-10T11:42:33,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27 2026-02-10T11:42:33,241 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 2026-02-10T11:42:33,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2 2026-02-10T11:42:33,244 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 2026-02-10T11:42:33,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31 2026-02-10T11:42:33,248 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 2026-02-10T11:42:33,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6 2026-02-10T11:42:33,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5 2026-02-10T11:42:33,253 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 2026-02-10T11:42:33,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4 2026-02-10T11:42:33,258 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 2026-02-10T11:42:33,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6 2026-02-10T11:42:33,263 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 2026-02-10T11:42:33,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3 2026-02-10T11:42:33,267 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 2026-02-10T11:42:33,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6 2026-02-10T11:42:33,272 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 2026-02-10T11:42:33,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6 2026-02-10T11:42:33,276 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 2026-02-10T11:42:33,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3 2026-02-10T11:42:33,280 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 2026-02-10T11:42:33,285 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3 2026-02-10T11:42:33,286 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 2026-02-10T11:42:33,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2 2026-02-10T11:42:33,291 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 2026-02-10T11:42:33,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3 2026-02-10T11:42:33,295 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 2026-02-10T11:42:33,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6 2026-02-10T11:42:33,299 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 2026-02-10T11:42:33,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05 2026-02-10T11:42:33,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17 2026-02-10T11:42:33,307 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 2026-02-10T11:42:33,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8 2026-02-10T11:42:33,311 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 2026-02-10T11:42:33,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74 2026-02-10T11:42:33,314 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 2026-02-10T11:42:33,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43 2026-02-10T11:42:33,318 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 2026-02-10T11:42:33,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c 2026-02-10T11:42:33,323 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 2026-02-10T11:42:33,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn 2026-02-10T11:42:33,327 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 2026-02-10T11:42:33,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS 2026-02-10T11:42:33,332 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 2026-02-10T11:42:33,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25 2026-02-10T11:42:33,337 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 2026-02-10T11:42:33,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25 2026-02-10T11:42:33,341 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 2026-02-10T11:42:33,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he 2026-02-10T11:42:33,346 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 2026-02-10T11:42:33,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr 2026-02-10T11:42:33,350 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 2026-02-10T11:42:33,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64 2026-02-10T11:42:33,355 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 2026-02-10T11:42:33,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3 2026-02-10T11:42:33,359 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 2026-02-10T11:42:33,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts 2026-02-10T11:42:33,364 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 2026-02-10T11:42:33,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp 2026-02-10T11:42:33,368 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 2026-02-10T11:42:33,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68 2026-02-10T11:42:33,373 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 2026-02-10T11:42:33,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic 2026-02-10T11:42:33,376 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 2026-02-10T11:42:33,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2 2026-02-10T11:42:33,380 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 2026-02-10T11:42:33,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O 2026-02-10T11:42:33,384 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 2026-02-10T11:42:33,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f 2026-02-10T11:42:33,388 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 2026-02-10T11:42:33,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B 2026-02-10T11:42:33,392 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 2026-02-10T11:42:33,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl 2026-02-10T11:42:33,396 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 2026-02-10T11:42:33,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH 2026-02-10T11:42:33,400 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 2026-02-10T11:42:33,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76 2026-02-10T11:42:33,404 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 2026-02-10T11:42:33,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o 2026-02-10T11:42:33,408 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 2026-02-10T11:42:33,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3 2026-02-10T11:42:33,412 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 2026-02-10T11:42:33,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4 2026-02-10T11:42:33,416 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 2026-02-10T11:42:33,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts 2026-02-10T11:42:33,420 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 2026-02-10T11:42:33,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45 2026-02-10T11:42:33,424 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 2026-02-10T11:42:33,426 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc 2026-02-10T11:42:33,427 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 2026-02-10T11:42:33,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis 2026-02-10T11:42:33,431 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 2026-02-10T11:42:33,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B 2026-02-10T11:42:33,436 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 2026-02-10T11:42:33,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B 2026-02-10T11:42:33,440 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 2026-02-10T11:42:33,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2 2026-02-10T11:42:33,445 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 2026-02-10T11:42:33,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25 2026-02-10T11:42:33,449 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 2026-02-10T11:42:33,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48 2026-02-10T11:42:33,453 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 2026-02-10T11:42:33,457 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr 2026-02-10T11:42:33,458 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 2026-02-10T11:42:33,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2 2026-02-10T11:42:33,462 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 2026-02-10T11:42:33,464 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A 2026-02-10T11:42:33,465 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 2026-02-10T11:42:33,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+ 2026-02-10T11:42:33,469 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+ 2026-02-10T11:42:33,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20 2026-02-10T11:42:33,472 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 2026-02-10T11:42:33,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf 2026-02-10T11:42:33,476 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 2026-02-10T11:42:33,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl 2026-02-10T11:42:33,480 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 2026-02-10T11:42:33,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al 2026-02-10T11:42:33,484 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 2026-02-10T11:42:33,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A 2026-02-10T11:42:33,488 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 2026-02-10T11:42:33,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20 2026-02-10T11:42:33,492 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 2026-02-10T11:42:33,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s 2026-02-10T11:42:33,496 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 2026-02-10T11:42:33,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p 2026-02-10T11:42:33,500 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 2026-02-10T11:42:33,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4 2026-02-10T11:42:33,504 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 2026-02-10T11:42:33,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl 2026-02-10T11:42:33,509 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 2026-02-10T11:42:33,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A 2026-02-10T11:42:33,513 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 2026-02-10T11:42:33,517 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A 2026-02-10T11:42:33,518 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 2026-02-10T11:42:33,521 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2 2026-02-10T11:42:33,522 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 2026-02-10T11:42:33,525 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n 2026-02-10T11:42:33,526 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 2026-02-10T11:42:33,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24 2026-02-10T11:42:33,530 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 2026-02-10T11:42:33,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne 2026-02-10T11:42:33,534 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 2026-02-10T11:42:33,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5 2026-02-10T11:42:33,537 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 2026-02-10T11:42:33,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10 2026-02-10T11:42:33,541 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 2026-02-10T11:42:33,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4 2026-02-10T11:42:33,544 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 2026-02-10T11:42:33,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+ 2026-02-10T11:42:33,549 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+ 2026-02-10T11:42:33,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A 2026-02-10T11:42:33,554 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 2026-02-10T11:42:33,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1 2026-02-10T11:42:33,559 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 2026-02-10T11:42:33,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh 2026-02-10T11:42:33,564 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 2026-02-10T11:42:33,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3 2026-02-10T11:42:33,570 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 2026-02-10T11:42:33,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40 2026-02-10T11:42:33,575 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 2026-02-10T11:42:33,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1 2026-02-10T11:42:33,579 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 2026-02-10T11:42:33,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg 2026-02-10T11:42:33,584 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 2026-02-10T11:42:33,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80 2026-02-10T11:42:33,589 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 2026-02-10T11:42:33,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2 2026-02-10T11:42:33,594 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 2026-02-10T11:42:33,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1 2026-02-10T11:42:33,599 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 2026-02-10T11:42:33,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02 2026-02-10T11:42:33,604 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 2026-02-10T11:42:33,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a 2026-02-10T11:42:33,610 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 2026-02-10T11:42:33,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75 2026-02-10T11:42:33,615 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 2026-02-10T11:42:33,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2 2026-02-10T11:42:33,621 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 2026-02-10T11:42:33,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl 2026-02-10T11:42:33,626 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 2026-02-10T11:42:33,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar 2026-02-10T11:42:33,631 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 2026-02-10T11:42:33,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp 2026-02-10T11:42:33,636 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 2026-02-10T11:42:33,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58 2026-02-10T11:42:33,640 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 2026-02-10T11:42:33,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47 2026-02-10T11:42:33,645 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 2026-02-10T11:42:33,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n 2026-02-10T11:42:33,649 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 2026-02-10T11:42:33,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis 2026-02-10T11:42:33,653 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 2026-02-10T11:42:33,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar 2026-02-10T11:42:33,658 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 2026-02-10T11:42:33,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S 2026-02-10T11:42:33,663 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 2026-02-10T11:42:33,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14 2026-02-10T11:42:33,667 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 2026-02-10T11:42:33,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20 2026-02-10T11:42:33,672 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 2026-02-10T11:42:33,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2 2026-02-10T11:42:33,677 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 2026-02-10T11:42:33,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:33,681 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+ 2026-02-10T11:42:33,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b 2026-02-10T11:42:33,685 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 2026-02-10T11:42:33,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco 2026-02-10T11:42:33,689 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 2026-02-10T11:42:33,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3 2026-02-10T11:42:33,693 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 2026-02-10T11:42:33,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71 2026-02-10T11:42:33,698 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 2026-02-10T11:42:33,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2 2026-02-10T11:42:33,702 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 2026-02-10T11:42:33,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH 2026-02-10T11:42:33,707 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 2026-02-10T11:42:33,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B 2026-02-10T11:42:33,712 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 2026-02-10T11:42:33,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe 2026-02-10T11:42:33,716 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 2026-02-10T11:42:33,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf 2026-02-10T11:42:33,721 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 2026-02-10T11:42:33,723 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl 2026-02-10T11:42:33,724 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 2026-02-10T11:42:33,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2 2026-02-10T11:42:33,728 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 2026-02-10T11:42:33,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+ 2026-02-10T11:42:33,731 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+ 2026-02-10T11:42:33,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans 2026-02-10T11:42:33,735 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 2026-02-10T11:42:33,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi 2026-02-10T11:42:33,739 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 2026-02-10T11:42:33,743 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3 2026-02-10T11:42:33,744 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 2026-02-10T11:42:33,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21 2026-02-10T11:42:33,749 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 2026-02-10T11:42:33,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf 2026-02-10T11:42:33,754 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 2026-02-10T11:42:33,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne 2026-02-10T11:42:33,759 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 2026-02-10T11:42:33,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12 2026-02-10T11:42:33,764 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 2026-02-10T11:42:33,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr 2026-02-10T11:42:33,769 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 2026-02-10T11:42:33,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+ 2026-02-10T11:42:33,773 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+ 2026-02-10T11:42:33,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts 2026-02-10T11:42:33,778 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 2026-02-10T11:42:33,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS 2026-02-10T11:42:33,782 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 2026-02-10T11:42:33,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs 2026-02-10T11:42:33,787 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 2026-02-10T11:42:33,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5 2026-02-10T11:42:33,790 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 2026-02-10T11:42:33,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2 2026-02-10T11:42:33,794 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 2026-02-10T11:42:33,797 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O 2026-02-10T11:42:33,798 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 2026-02-10T11:42:33,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p 2026-02-10T11:42:33,802 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 2026-02-10T11:42:33,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1 2026-02-10T11:42:33,805 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 2026-02-10T11:42:33,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4 2026-02-10T11:42:33,809 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 2026-02-10T11:42:33,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s 2026-02-10T11:42:33,812 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 2026-02-10T11:42:33,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2 2026-02-10T11:42:33,816 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 2026-02-10T11:42:33,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B 2026-02-10T11:42:33,820 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 2026-02-10T11:42:33,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl 2026-02-10T11:42:33,823 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 2026-02-10T11:42:33,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm 2026-02-10T11:42:33,827 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 2026-02-10T11:42:33,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n 2026-02-10T11:42:33,831 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 2026-02-10T11:42:33,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k 2026-02-10T11:42:33,835 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 2026-02-10T11:42:33,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl 2026-02-10T11:42:33,838 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 2026-02-10T11:42:33,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo 2026-02-10T11:42:33,841 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 2026-02-10T11:42:33,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18 2026-02-10T11:42:33,845 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 2026-02-10T11:42:33,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A 2026-02-10T11:42:33,849 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 2026-02-10T11:42:33,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f 2026-02-10T11:42:33,853 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 2026-02-10T11:42:33,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh 2026-02-10T11:42:33,858 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 2026-02-10T11:42:33,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6 2026-02-10T11:42:33,863 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 2026-02-10T11:42:33,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2 2026-02-10T11:42:33,866 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 2026-02-10T11:42:33,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p 2026-02-10T11:42:33,871 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 2026-02-10T11:42:33,874 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn 2026-02-10T11:42:33,875 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 2026-02-10T11:42:33,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2 2026-02-10T11:42:33,880 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 2026-02-10T11:42:33,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots 2026-02-10T11:42:33,885 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 2026-02-10T11:42:33,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4 2026-02-10T11:42:33,889 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 2026-02-10T11:42:33,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A 2026-02-10T11:42:33,893 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 2026-02-10T11:42:33,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2 2026-02-10T11:42:33,897 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 2026-02-10T11:42:33,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B 2026-02-10T11:42:33,902 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 2026-02-10T11:42:33,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B 2026-02-10T11:42:33,905 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 2026-02-10T11:42:33,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20 2026-02-10T11:42:33,909 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 2026-02-10T11:42:33,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39 2026-02-10T11:42:33,912 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 2026-02-10T11:42:33,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59 2026-02-10T11:42:33,916 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 2026-02-10T11:42:33,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b 2026-02-10T11:42:33,920 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 2026-02-10T11:42:33,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo 2026-02-10T11:42:33,923 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 2026-02-10T11:42:33,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67 2026-02-10T11:42:33,927 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 2026-02-10T11:42:33,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh 2026-02-10T11:42:33,931 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 2026-02-10T11:42:33,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78 2026-02-10T11:42:33,935 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 2026-02-10T11:42:33,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH 2026-02-10T11:42:33,938 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 2026-02-10T11:42:33,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s 2026-02-10T11:42:33,941 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 2026-02-10T11:42:33,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13 2026-02-10T11:42:33,945 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 2026-02-10T11:42:33,947 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+ 2026-02-10T11:42:33,948 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+ 2026-02-10T11:42:33,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34 2026-02-10T11:42:33,953 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 2026-02-10T11:42:33,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2 2026-02-10T11:42:33,958 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 2026-02-10T11:42:33,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca 2026-02-10T11:42:33,961 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 2026-02-10T11:42:33,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr 2026-02-10T11:42:33,966 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 2026-02-10T11:42:33,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s 2026-02-10T11:42:33,969 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 2026-02-10T11:42:33,972 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s- 2026-02-10T11:42:33,973 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- 2026-02-10T11:42:33,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be 2026-02-10T11:42:33,978 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 2026-02-10T11:42:33,980 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si 2026-02-10T11:42:33,981 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 2026-02-10T11:42:33,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2 2026-02-10T11:42:33,985 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 2026-02-10T11:42:33,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A 2026-02-10T11:42:33,988 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 2026-02-10T11:42:33,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao 2026-02-10T11:42:33,991 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 2026-02-10T11:42:33,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3 2026-02-10T11:42:33,995 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 2026-02-10T11:42:33,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n 2026-02-10T11:42:34,000 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 2026-02-10T11:42:34,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n 2026-02-10T11:42:34,003 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 2026-02-10T11:42:34,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73 2026-02-10T11:42:34,007 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 2026-02-10T11:42:34,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h 2026-02-10T11:42:34,011 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 2026-02-10T11:42:34,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+ 2026-02-10T11:42:34,014 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+ 2026-02-10T11:42:34,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC 2026-02-10T11:42:34,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104 2026-02-10T11:42:34,020 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 2026-02-10T11:42:34,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8 2026-02-10T11:42:34,024 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 2026-02-10T11:42:34,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30 2026-02-10T11:42:34,028 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 2026-02-10T11:42:34,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126 2026-02-10T11:42:34,032 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 2026-02-10T11:42:34,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33 2026-02-10T11:42:34,036 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 2026-02-10T11:42:34,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128 2026-02-10T11:42:34,039 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 2026-02-10T11:42:34,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68 2026-02-10T11:42:34,043 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 2026-02-10T11:42:34,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94 2026-02-10T11:42:34,047 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 2026-02-10T11:42:34,049 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45 2026-02-10T11:42:34,050 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 2026-02-10T11:42:34,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22 2026-02-10T11:42:34,054 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 2026-02-10T11:42:34,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25 2026-02-10T11:42:34,057 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 2026-02-10T11:42:34,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100 2026-02-10T11:42:34,061 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 2026-02-10T11:42:34,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23 2026-02-10T11:42:34,065 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 2026-02-10T11:42:34,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52 2026-02-10T11:42:34,068 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 2026-02-10T11:42:34,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118 2026-02-10T11:42:34,072 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 2026-02-10T11:42:34,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113 2026-02-10T11:42:34,075 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 2026-02-10T11:42:34,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24 2026-02-10T11:42:34,079 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 2026-02-10T11:42:34,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40 2026-02-10T11:42:34,082 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 2026-02-10T11:42:34,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57 2026-02-10T11:42:34,085 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 2026-02-10T11:42:34,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106 2026-02-10T11:42:34,089 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 2026-02-10T11:42:34,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88 2026-02-10T11:42:34,093 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 2026-02-10T11:42:34,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58 2026-02-10T11:42:34,097 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 2026-02-10T11:42:34,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47 2026-02-10T11:42:34,101 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 2026-02-10T11:42:34,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14 2026-02-10T11:42:34,105 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 2026-02-10T11:42:34,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66 2026-02-10T11:42:34,110 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 2026-02-10T11:42:34,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51 2026-02-10T11:42:34,115 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 2026-02-10T11:42:34,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32 2026-02-10T11:42:34,119 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 2026-02-10T11:42:34,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117 2026-02-10T11:42:34,123 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 2026-02-10T11:42:34,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56 2026-02-10T11:42:34,127 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 2026-02-10T11:42:34,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21 2026-02-10T11:42:34,130 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 2026-02-10T11:42:34,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61 2026-02-10T11:42:34,133 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 2026-02-10T11:42:34,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67 2026-02-10T11:42:34,137 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 2026-02-10T11:42:34,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11 2026-02-10T11:42:34,141 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 2026-02-10T11:42:34,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82 2026-02-10T11:42:34,145 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 2026-02-10T11:42:34,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1 2026-02-10T11:42:34,150 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 2026-02-10T11:42:34,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97 2026-02-10T11:42:34,155 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 2026-02-10T11:42:34,158 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60 2026-02-10T11:42:34,159 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 2026-02-10T11:42:34,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121 2026-02-10T11:42:34,163 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 2026-02-10T11:42:34,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18 2026-02-10T11:42:34,167 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 2026-02-10T11:42:34,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6 2026-02-10T11:42:34,172 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 2026-02-10T11:42:34,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62 2026-02-10T11:42:34,177 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 2026-02-10T11:42:34,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26 2026-02-10T11:42:34,182 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 2026-02-10T11:42:34,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39 2026-02-10T11:42:34,188 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 2026-02-10T11:42:34,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59 2026-02-10T11:42:34,192 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 2026-02-10T11:42:34,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13 2026-02-10T11:42:34,196 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 2026-02-10T11:42:34,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34 2026-02-10T11:42:34,201 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 2026-02-10T11:42:34,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73 2026-02-10T11:42:34,205 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 2026-02-10T11:42:34,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11 2026-02-10T11:42:34,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4 2026-02-10T11:42:34,212 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 2026-02-10T11:42:34,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br 2026-02-10T11:42:34,216 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 2026-02-10T11:42:34,219 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2 2026-02-10T11:42:34,221 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 2026-02-10T11:42:34,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2 2026-02-10T11:42:34,225 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 2026-02-10T11:42:34,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6 2026-02-10T11:42:34,230 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 2026-02-10T11:42:34,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl 2026-02-10T11:42:34,235 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 2026-02-10T11:42:34,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2 2026-02-10T11:42:34,240 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 2026-02-10T11:42:34,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2 2026-02-10T11:42:34,244 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 2026-02-10T11:42:34,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6 2026-02-10T11:42:34,248 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 2026-02-10T11:42:34,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4 2026-02-10T11:42:34,253 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 2026-02-10T11:42:34,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3 2026-02-10T11:42:34,257 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 2026-02-10T11:42:34,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6 2026-02-10T11:42:34,261 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 2026-02-10T11:42:34,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2 2026-02-10T11:42:34,266 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 2026-02-10T11:42:34,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh 2026-02-10T11:42:34,271 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 2026-02-10T11:42:34,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2 2026-02-10T11:42:34,275 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 2026-02-10T11:42:34,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4 2026-02-10T11:42:34,280 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 2026-02-10T11:42:34,284 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3 2026-02-10T11:42:34,285 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 2026-02-10T11:42:34,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3 2026-02-10T11:42:34,290 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 2026-02-10T11:42:34,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme 2026-02-10T11:42:34,294 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 2026-02-10T11:42:34,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2 2026-02-10T11:42:34,299 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 2026-02-10T11:42:34,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh 2026-02-10T11:42:34,304 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 2026-02-10T11:42:34,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2 2026-02-10T11:42:34,308 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 2026-02-10T11:42:34,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27 2026-02-10T11:42:34,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op 2026-02-10T11:42:34,316 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 2026-02-10T11:42:34,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O 2026-02-10T11:42:34,321 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 2026-02-10T11:42:34,323 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3 2026-02-10T11:42:34,325 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 2026-02-10T11:42:34,327 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs 2026-02-10T11:42:34,329 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 2026-02-10T11:42:34,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5 2026-02-10T11:42:34,335 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 2026-02-10T11:42:34,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2 2026-02-10T11:42:34,340 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 2026-02-10T11:42:34,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2 2026-02-10T11:42:34,345 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 2026-02-10T11:42:34,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3 2026-02-10T11:42:34,349 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 2026-02-10T11:42:34,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d 2026-02-10T11:42:34,354 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 2026-02-10T11:42:34,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6 2026-02-10T11:42:34,359 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 2026-02-10T11:42:34,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4 2026-02-10T11:42:34,364 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 2026-02-10T11:42:34,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b 2026-02-10T11:42:34,369 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 2026-02-10T11:42:34,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20 2026-02-10T11:42:34,374 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 2026-02-10T11:42:34,378 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O 2026-02-10T11:42:34,380 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 2026-02-10T11:42:34,384 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm 2026-02-10T11:42:34,386 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 2026-02-10T11:42:34,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc 2026-02-10T11:42:34,392 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 2026-02-10T11:42:34,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c 2026-02-10T11:42:34,397 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 2026-02-10T11:42:34,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6 2026-02-10T11:42:34,402 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 2026-02-10T11:42:34,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4 2026-02-10T11:42:34,407 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 2026-02-10T11:42:34,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es 2026-02-10T11:42:34,414 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 2026-02-10T11:42:34,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs 2026-02-10T11:42:34,420 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 2026-02-10T11:42:34,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O 2026-02-10T11:42:34,425 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 2026-02-10T11:42:34,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm 2026-02-10T11:42:34,431 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 2026-02-10T11:42:34,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d 2026-02-10T11:42:34,438 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 2026-02-10T11:42:34,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4 2026-02-10T11:42:34,444 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 2026-02-10T11:42:34,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2 2026-02-10T11:42:34,449 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 2026-02-10T11:42:34,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3 2026-02-10T11:42:34,454 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 2026-02-10T11:42:34,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d 2026-02-10T11:42:34,460 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 2026-02-10T11:42:34,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5 2026-02-10T11:42:34,465 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 2026-02-10T11:42:34,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2 2026-02-10T11:42:34,470 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 2026-02-10T11:42:34,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59 2026-02-10T11:42:34,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2 2026-02-10T11:42:34,478 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 2026-02-10T11:42:34,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB 2026-02-10T11:42:34,483 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 2026-02-10T11:42:34,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH 2026-02-10T11:42:34,488 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 2026-02-10T11:42:34,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB 2026-02-10T11:42:34,492 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 2026-02-10T11:42:34,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB 2026-02-10T11:42:34,497 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 2026-02-10T11:42:34,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB 2026-02-10T11:42:34,503 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 2026-02-10T11:42:34,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA 2026-02-10T11:42:34,507 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 2026-02-10T11:42:34,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH 2026-02-10T11:42:34,511 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 2026-02-10T11:42:34,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3 2026-02-10T11:42:34,515 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 2026-02-10T11:42:34,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI 2026-02-10T11:42:34,520 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 2026-02-10T11:42:34,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB 2026-02-10T11:42:34,528 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 2026-02-10T11:42:34,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr 2026-02-10T11:42:34,532 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 2026-02-10T11:42:34,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA 2026-02-10T11:42:34,537 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 2026-02-10T11:42:34,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH 2026-02-10T11:42:34,541 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 2026-02-10T11:42:34,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB 2026-02-10T11:42:34,546 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 2026-02-10T11:42:34,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB 2026-02-10T11:42:34,550 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 2026-02-10T11:42:34,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr 2026-02-10T11:42:34,555 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 2026-02-10T11:42:34,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB 2026-02-10T11:42:34,560 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 2026-02-10T11:42:34,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA 2026-02-10T11:42:34,565 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 2026-02-10T11:42:34,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH 2026-02-10T11:42:34,569 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 2026-02-10T11:42:34,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA 2026-02-10T11:42:34,574 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 2026-02-10T11:42:34,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB 2026-02-10T11:42:34,578 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 2026-02-10T11:42:34,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr 2026-02-10T11:42:34,582 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 2026-02-10T11:42:34,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI 2026-02-10T11:42:34,587 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 2026-02-10T11:42:34,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH 2026-02-10T11:42:34,592 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 2026-02-10T11:42:34,595 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr 2026-02-10T11:42:34,596 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 2026-02-10T11:42:34,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS 2026-02-10T11:42:34,600 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 2026-02-10T11:42:34,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH 2026-02-10T11:42:34,605 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 2026-02-10T11:42:34,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB 2026-02-10T11:42:34,610 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 2026-02-10T11:42:34,614 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS 2026-02-10T11:42:34,616 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 2026-02-10T11:42:34,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr 2026-02-10T11:42:34,620 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 2026-02-10T11:42:34,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr 2026-02-10T11:42:34,625 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 2026-02-10T11:42:34,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB 2026-02-10T11:42:34,629 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 2026-02-10T11:42:34,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH 2026-02-10T11:42:34,634 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 2026-02-10T11:42:34,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl 2026-02-10T11:42:34,637 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 2026-02-10T11:42:34,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS 2026-02-10T11:42:34,642 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 2026-02-10T11:42:34,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS 2026-02-10T11:42:34,647 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 2026-02-10T11:42:34,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB 2026-02-10T11:42:34,651 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 2026-02-10T11:42:34,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA 2026-02-10T11:42:34,656 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 2026-02-10T11:42:34,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB 2026-02-10T11:42:34,660 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 2026-02-10T11:42:34,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3 2026-02-10T11:42:34,665 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 2026-02-10T11:42:34,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI 2026-02-10T11:42:34,671 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 2026-02-10T11:42:34,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr 2026-02-10T11:42:34,676 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 2026-02-10T11:42:34,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3 2026-02-10T11:42:34,682 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 2026-02-10T11:42:34,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr 2026-02-10T11:42:34,688 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 2026-02-10T11:42:34,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB 2026-02-10T11:42:34,693 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 2026-02-10T11:42:34,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI 2026-02-10T11:42:34,697 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 2026-02-10T11:42:34,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH 2026-02-10T11:42:34,701 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 2026-02-10T11:42:34,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe 2026-02-10T11:42:34,705 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 2026-02-10T11:42:34,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr 2026-02-10T11:42:34,708 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 2026-02-10T11:42:34,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A 2026-02-10T11:42:34,712 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 2026-02-10T11:42:34,715 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:34,716 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl 2026-02-10T11:42:34,719 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe 2026-02-10T11:42:34,720 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 2026-02-10T11:42:34,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI 2026-02-10T11:42:34,725 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 2026-02-10T11:42:34,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3 2026-02-10T11:42:34,729 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 2026-02-10T11:42:34,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA 2026-02-10T11:42:34,733 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 2026-02-10T11:42:34,735 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS 2026-02-10T11:42:34,736 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 2026-02-10T11:42:34,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl 2026-02-10T11:42:34,740 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 2026-02-10T11:42:34,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB 2026-02-10T11:42:34,743 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 2026-02-10T11:42:34,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH 2026-02-10T11:42:34,746 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 2026-02-10T11:42:34,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl 2026-02-10T11:42:34,750 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 2026-02-10T11:42:34,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB 2026-02-10T11:42:34,753 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 2026-02-10T11:42:34,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B 2026-02-10T11:42:34,756 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 2026-02-10T11:42:34,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI 2026-02-10T11:42:34,760 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 2026-02-10T11:42:34,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB 2026-02-10T11:42:34,763 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 2026-02-10T11:42:34,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA 2026-02-10T11:42:34,766 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 2026-02-10T11:42:34,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB 2026-02-10T11:42:34,770 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 2026-02-10T11:42:34,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB 2026-02-10T11:42:34,774 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 2026-02-10T11:42:34,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI 2026-02-10T11:42:34,777 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 2026-02-10T11:42:34,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A 2026-02-10T11:42:34,780 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 2026-02-10T11:42:34,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A 2026-02-10T11:42:34,784 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 2026-02-10T11:42:34,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe 2026-02-10T11:42:34,787 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 2026-02-10T11:42:34,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2 2026-02-10T11:42:34,791 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 2026-02-10T11:42:34,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB 2026-02-10T11:42:34,794 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 2026-02-10T11:42:34,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH 2026-02-10T11:42:34,797 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 2026-02-10T11:42:34,800 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B 2026-02-10T11:42:34,801 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 2026-02-10T11:42:34,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA 2026-02-10T11:42:34,804 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 2026-02-10T11:42:34,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA 2026-02-10T11:42:34,807 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 2026-02-10T11:42:34,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA 2026-02-10T11:42:34,811 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 2026-02-10T11:42:34,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS 2026-02-10T11:42:34,814 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 2026-02-10T11:42:34,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA 2026-02-10T11:42:34,818 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 2026-02-10T11:42:34,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3 2026-02-10T11:42:34,821 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 2026-02-10T11:42:34,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH 2026-02-10T11:42:34,826 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 2026-02-10T11:42:34,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB 2026-02-10T11:42:34,829 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 2026-02-10T11:42:34,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB 2026-02-10T11:42:34,833 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 2026-02-10T11:42:34,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI 2026-02-10T11:42:34,836 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 2026-02-10T11:42:34,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI 2026-02-10T11:42:34,840 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 2026-02-10T11:42:34,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI 2026-02-10T11:42:34,843 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 2026-02-10T11:42:34,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2 2026-02-10T11:42:34,846 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 2026-02-10T11:42:34,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3 2026-02-10T11:42:34,850 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 2026-02-10T11:42:34,852 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB 2026-02-10T11:42:34,853 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 2026-02-10T11:42:34,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB 2026-02-10T11:42:34,857 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 2026-02-10T11:42:34,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH 2026-02-10T11:42:34,860 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 2026-02-10T11:42:34,863 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB 2026-02-10T11:42:34,865 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 2026-02-10T11:42:34,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS 2026-02-10T11:42:34,869 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 2026-02-10T11:42:34,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3 2026-02-10T11:42:34,874 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 2026-02-10T11:42:34,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr 2026-02-10T11:42:34,878 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 2026-02-10T11:42:34,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr 2026-02-10T11:42:34,884 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 2026-02-10T11:42:34,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe 2026-02-10T11:42:34,888 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 2026-02-10T11:42:34,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B 2026-02-10T11:42:34,891 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 2026-02-10T11:42:34,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2 2026-02-10T11:42:34,895 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 2026-02-10T11:42:34,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3 2026-02-10T11:42:34,900 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 2026-02-10T11:42:34,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr 2026-02-10T11:42:34,904 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 2026-02-10T11:42:34,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS 2026-02-10T11:42:34,909 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 2026-02-10T11:42:34,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr 2026-02-10T11:42:34,913 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 2026-02-10T11:42:34,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12 2026-02-10T11:42:34,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A 2026-02-10T11:42:34,918 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 2026-02-10T11:42:34,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O 2026-02-10T11:42:34,922 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 2026-02-10T11:42:34,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B 2026-02-10T11:42:34,925 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 2026-02-10T11:42:34,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:34,929 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B 2026-02-10T11:42:34,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B 2026-02-10T11:42:34,933 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 2026-02-10T11:42:34,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B 2026-02-10T11:42:34,937 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 2026-02-10T11:42:34,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A 2026-02-10T11:42:34,941 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 2026-02-10T11:42:34,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A 2026-02-10T11:42:34,945 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 2026-02-10T11:42:34,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O 2026-02-10T11:42:34,949 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 2026-02-10T11:42:34,951 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B 2026-02-10T11:42:34,952 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 2026-02-10T11:42:34,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A 2026-02-10T11:42:34,956 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 2026-02-10T11:42:34,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B 2026-02-10T11:42:34,960 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 2026-02-10T11:42:34,963 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A 2026-02-10T11:42:34,964 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 2026-02-10T11:42:34,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A 2026-02-10T11:42:34,969 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 2026-02-10T11:42:34,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A 2026-02-10T11:42:34,972 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 2026-02-10T11:42:34,974 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A 2026-02-10T11:42:34,975 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 2026-02-10T11:42:34,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O 2026-02-10T11:42:34,979 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 2026-02-10T11:42:34,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N 2026-02-10T11:42:34,983 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 2026-02-10T11:42:34,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL 2026-02-10T11:42:34,987 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 2026-02-10T11:42:34,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B 2026-02-10T11:42:34,990 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 2026-02-10T11:42:34,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B 2026-02-10T11:42:34,995 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 2026-02-10T11:42:34,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B 2026-02-10T11:42:34,998 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 2026-02-10T11:42:35,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL 2026-02-10T11:42:35,003 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 2026-02-10T11:42:35,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N 2026-02-10T11:42:35,008 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 2026-02-10T11:42:35,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B 2026-02-10T11:42:35,012 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 2026-02-10T11:42:35,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B 2026-02-10T11:42:35,015 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 2026-02-10T11:42:35,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B 2026-02-10T11:42:35,019 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 2026-02-10T11:42:35,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL 2026-02-10T11:42:35,022 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 2026-02-10T11:42:35,025 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A 2026-02-10T11:42:35,026 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 2026-02-10T11:42:35,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N 2026-02-10T11:42:35,029 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 2026-02-10T11:42:35,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A 2026-02-10T11:42:35,033 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 2026-02-10T11:42:35,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A 2026-02-10T11:42:35,037 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 2026-02-10T11:42:35,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL 2026-02-10T11:42:35,041 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 2026-02-10T11:42:35,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N 2026-02-10T11:42:35,044 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 2026-02-10T11:42:35,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O 2026-02-10T11:42:35,048 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 2026-02-10T11:42:35,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A 2026-02-10T11:42:35,051 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 2026-02-10T11:42:35,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16 2026-02-10T11:42:35,056 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A 2026-02-10T11:42:35,057 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 2026-02-10T11:42:35,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229 2026-02-10T11:42:35,061 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 2026-02-10T11:42:35,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B 2026-02-10T11:42:35,065 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 2026-02-10T11:42:35,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A 2026-02-10T11:42:35,069 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 2026-02-10T11:42:35,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B 2026-02-10T11:42:35,073 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 2026-02-10T11:42:35,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B 2026-02-10T11:42:35,077 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 2026-02-10T11:42:35,079 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B 2026-02-10T11:42:35,080 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 2026-02-10T11:42:35,083 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202 2026-02-10T11:42:35,084 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 2026-02-10T11:42:35,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148 2026-02-10T11:42:35,088 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 2026-02-10T11:42:35,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A 2026-02-10T11:42:35,091 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 2026-02-10T11:42:35,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008 2026-02-10T11:42:35,095 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 2026-02-10T11:42:35,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147 2026-02-10T11:42:35,099 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 2026-02-10T11:42:35,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B 2026-02-10T11:42:35,103 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 2026-02-10T11:42:35,106 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227 2026-02-10T11:42:35,107 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 2026-02-10T11:42:35,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B 2026-02-10T11:42:35,110 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 2026-02-10T11:42:35,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A 2026-02-10T11:42:35,114 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 2026-02-10T11:42:35,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A 2026-02-10T11:42:35,117 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 2026-02-10T11:42:35,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B 2026-02-10T11:42:35,121 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 2026-02-10T11:42:35,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214 2026-02-10T11:42:35,125 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 2026-02-10T11:42:35,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A 2026-02-10T11:42:35,129 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 2026-02-10T11:42:35,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A 2026-02-10T11:42:35,133 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 2026-02-10T11:42:35,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B 2026-02-10T11:42:35,136 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 2026-02-10T11:42:35,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213 2026-02-10T11:42:35,139 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 2026-02-10T11:42:35,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B 2026-02-10T11:42:35,143 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 2026-02-10T11:42:35,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152 2026-02-10T11:42:35,147 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 2026-02-10T11:42:35,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B 2026-02-10T11:42:35,150 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 2026-02-10T11:42:35,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A 2026-02-10T11:42:35,154 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 2026-02-10T11:42:35,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150 2026-02-10T11:42:35,157 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 2026-02-10T11:42:35,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B 2026-02-10T11:42:35,161 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 2026-02-10T11:42:35,163 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A 2026-02-10T11:42:35,164 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 2026-02-10T11:42:35,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230 2026-02-10T11:42:35,169 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 2026-02-10T11:42:35,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231 2026-02-10T11:42:35,173 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 2026-02-10T11:42:35,177 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A 2026-02-10T11:42:35,178 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 2026-02-10T11:42:35,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187 2026-02-10T11:42:35,182 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 2026-02-10T11:42:35,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A 2026-02-10T11:42:35,187 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 2026-02-10T11:42:35,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212 2026-02-10T11:42:35,192 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 2026-02-10T11:42:35,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B 2026-02-10T11:42:35,197 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 2026-02-10T11:42:35,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B 2026-02-10T11:42:35,201 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 2026-02-10T11:42:35,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B 2026-02-10T11:42:35,205 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 2026-02-10T11:42:35,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A 2026-02-10T11:42:35,210 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 2026-02-10T11:42:35,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B 2026-02-10T11:42:35,215 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 2026-02-10T11:42:35,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A 2026-02-10T11:42:35,219 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 2026-02-10T11:42:35,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228 2026-02-10T11:42:35,223 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 2026-02-10T11:42:35,226 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A 2026-02-10T11:42:35,227 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 2026-02-10T11:42:35,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A 2026-02-10T11:42:35,233 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 2026-02-10T11:42:35,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144 2026-02-10T11:42:35,237 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 2026-02-10T11:42:35,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B 2026-02-10T11:42:35,242 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 2026-02-10T11:42:35,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A 2026-02-10T11:42:35,246 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 2026-02-10T11:42:35,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18 2026-02-10T11:42:35,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2 2026-02-10T11:42:35,254 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 2026-02-10T11:42:35,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr 2026-02-10T11:42:35,258 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 2026-02-10T11:42:35,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3 2026-02-10T11:42:35,263 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 2026-02-10T11:42:35,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6 2026-02-10T11:42:35,267 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 2026-02-10T11:42:35,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf 2026-02-10T11:42:35,271 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 2026-02-10T11:42:35,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne 2026-02-10T11:42:35,276 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 2026-02-10T11:42:35,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2 2026-02-10T11:42:35,280 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 2026-02-10T11:42:35,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr 2026-02-10T11:42:35,283 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 2026-02-10T11:42:35,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne 2026-02-10T11:42:35,288 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 2026-02-10T11:42:35,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4 2026-02-10T11:42:35,291 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 2026-02-10T11:42:35,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3 2026-02-10T11:42:35,295 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 2026-02-10T11:42:35,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar 2026-02-10T11:42:35,300 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 2026-02-10T11:42:35,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz 2026-02-10T11:42:35,303 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 2026-02-10T11:42:35,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr 2026-02-10T11:42:35,307 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 2026-02-10T11:42:35,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6 2026-02-10T11:42:35,311 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 2026-02-10T11:42:35,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar 2026-02-10T11:42:35,316 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 2026-02-10T11:42:35,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe 2026-02-10T11:42:35,319 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 2026-02-10T11:42:35,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2 2026-02-10T11:42:35,323 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 2026-02-10T11:42:35,325 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3 2026-02-10T11:42:35,326 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 2026-02-10T11:42:35,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne 2026-02-10T11:42:35,330 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 2026-02-10T11:42:35,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr 2026-02-10T11:42:35,333 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 2026-02-10T11:42:35,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4 2026-02-10T11:42:35,337 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 2026-02-10T11:42:35,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe 2026-02-10T11:42:35,341 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 2026-02-10T11:42:35,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar 2026-02-10T11:42:35,345 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 2026-02-10T11:42:35,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2 2026-02-10T11:42:35,349 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 2026-02-10T11:42:35,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO 2026-02-10T11:42:35,353 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8 2026-02-10T11:42:35,355 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 2026-02-10T11:42:35,357 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9 2026-02-10T11:42:35,358 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 2026-02-10T11:42:35,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4 2026-02-10T11:42:35,362 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 2026-02-10T11:42:35,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3 2026-02-10T11:42:35,367 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 2026-02-10T11:42:35,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2 2026-02-10T11:42:35,371 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 2026-02-10T11:42:35,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7 2026-02-10T11:42:35,375 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 2026-02-10T11:42:35,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5 2026-02-10T11:42:35,378 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 2026-02-10T11:42:35,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1 2026-02-10T11:42:35,382 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 2026-02-10T11:42:35,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6 2026-02-10T11:42:35,386 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 2026-02-10T11:42:35,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10 2026-02-10T11:42:35,389 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 2026-02-10T11:42:35,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66 2026-02-10T11:42:35,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A 2026-02-10T11:42:35,398 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 2026-02-10T11:42:35,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B 2026-02-10T11:42:35,403 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 2026-02-10T11:42:35,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B 2026-02-10T11:42:35,407 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 2026-02-10T11:42:35,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30 2026-02-10T11:42:35,411 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 2026-02-10T11:42:35,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43 2026-02-10T11:42:35,415 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 2026-02-10T11:42:35,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B 2026-02-10T11:42:35,418 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 2026-02-10T11:42:35,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A 2026-02-10T11:42:35,422 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 2026-02-10T11:42:35,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B 2026-02-10T11:42:35,425 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 2026-02-10T11:42:35,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A 2026-02-10T11:42:35,429 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 2026-02-10T11:42:35,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A 2026-02-10T11:42:35,433 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 2026-02-10T11:42:35,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B 2026-02-10T11:42:35,437 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 2026-02-10T11:42:35,440 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B 2026-02-10T11:42:35,442 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 2026-02-10T11:42:35,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19 2026-02-10T11:42:35,445 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 2026-02-10T11:42:35,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33 2026-02-10T11:42:35,449 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 2026-02-10T11:42:35,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B 2026-02-10T11:42:35,452 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 2026-02-10T11:42:35,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A 2026-02-10T11:42:35,456 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 2026-02-10T11:42:35,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A 2026-02-10T11:42:35,460 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 2026-02-10T11:42:35,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16 2026-02-10T11:42:35,465 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 2026-02-10T11:42:35,468 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B 2026-02-10T11:42:35,469 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 2026-02-10T11:42:35,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B 2026-02-10T11:42:35,473 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 2026-02-10T11:42:35,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B 2026-02-10T11:42:35,476 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 2026-02-10T11:42:35,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2026-02-10T11:42:35,479 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B 2026-02-10T11:42:35,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42 2026-02-10T11:42:35,482 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 2026-02-10T11:42:35,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41 2026-02-10T11:42:35,486 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 2026-02-10T11:42:35,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A 2026-02-10T11:42:35,490 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 2026-02-10T11:42:35,493 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45 2026-02-10T11:42:35,495 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 2026-02-10T11:42:35,497 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22 2026-02-10T11:42:35,498 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 2026-02-10T11:42:35,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28 2026-02-10T11:42:35,501 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 2026-02-10T11:42:35,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B 2026-02-10T11:42:35,505 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 2026-02-10T11:42:35,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B 2026-02-10T11:42:35,509 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 2026-02-10T11:42:35,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A 2026-02-10T11:42:35,513 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 2026-02-10T11:42:35,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36 2026-02-10T11:42:35,517 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 2026-02-10T11:42:35,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25 2026-02-10T11:42:35,521 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 2026-02-10T11:42:35,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A 2026-02-10T11:42:35,525 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 2026-02-10T11:42:35,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12 2026-02-10T11:42:35,529 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 2026-02-10T11:42:35,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23 2026-02-10T11:42:35,532 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 2026-02-10T11:42:35,536 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48 2026-02-10T11:42:35,537 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 2026-02-10T11:42:35,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B 2026-02-10T11:42:35,543 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 2026-02-10T11:42:35,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A 2026-02-10T11:42:35,546 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 2026-02-10T11:42:35,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B 2026-02-10T11:42:35,550 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 2026-02-10T11:42:35,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A 2026-02-10T11:42:35,554 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 2026-02-10T11:42:35,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2026-02-10T11:42:35,557 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52 2026-02-10T11:42:35,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B 2026-02-10T11:42:35,561 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 2026-02-10T11:42:35,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B 2026-02-10T11:42:35,565 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 2026-02-10T11:42:35,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A 2026-02-10T11:42:35,568 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 2026-02-10T11:42:35,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A 2026-02-10T11:42:35,572 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 2026-02-10T11:42:35,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A 2026-02-10T11:42:35,575 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 2026-02-10T11:42:35,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B 2026-02-10T11:42:35,578 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 2026-02-10T11:42:35,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49 2026-02-10T11:42:35,582 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 2026-02-10T11:42:35,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20 2026-02-10T11:42:35,586 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 2026-02-10T11:42:35,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A 2026-02-10T11:42:35,590 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 2026-02-10T11:42:35,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A 2026-02-10T11:42:35,594 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 2026-02-10T11:42:35,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B 2026-02-10T11:42:35,599 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 2026-02-10T11:42:35,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B 2026-02-10T11:42:35,605 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 2026-02-10T11:42:35,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A 2026-02-10T11:42:35,610 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 2026-02-10T11:42:35,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A 2026-02-10T11:42:35,614 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 2026-02-10T11:42:35,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24 2026-02-10T11:42:35,619 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 2026-02-10T11:42:35,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A 2026-02-10T11:42:35,624 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 2026-02-10T11:42:35,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55 2026-02-10T11:42:35,628 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 2026-02-10T11:42:35,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B 2026-02-10T11:42:35,633 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 2026-02-10T11:42:35,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53 2026-02-10T11:42:35,639 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 2026-02-10T11:42:35,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B 2026-02-10T11:42:35,644 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 2026-02-10T11:42:35,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B 2026-02-10T11:42:35,649 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 2026-02-10T11:42:35,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04 2026-02-10T11:42:35,654 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 2026-02-10T11:42:35,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54 2026-02-10T11:42:35,659 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 2026-02-10T11:42:35,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B 2026-02-10T11:42:35,663 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 2026-02-10T11:42:35,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B 2026-02-10T11:42:35,667 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 2026-02-10T11:42:35,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B 2026-02-10T11:42:35,671 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 2026-02-10T11:42:35,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A 2026-02-10T11:42:35,676 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 2026-02-10T11:42:35,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A 2026-02-10T11:42:35,680 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 2026-02-10T11:42:35,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40 2026-02-10T11:42:35,685 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 2026-02-10T11:42:35,689 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A 2026-02-10T11:42:35,691 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 2026-02-10T11:42:35,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B 2026-02-10T11:42:35,696 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 2026-02-10T11:42:35,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B 2026-02-10T11:42:35,701 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 2026-02-10T11:42:35,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57 2026-02-10T11:42:35,706 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 2026-02-10T11:42:35,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B 2026-02-10T11:42:35,710 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 2026-02-10T11:42:35,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A 2026-02-10T11:42:35,715 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 2026-02-10T11:42:35,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B 2026-02-10T11:42:35,719 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 2026-02-10T11:42:35,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A 2026-02-10T11:42:35,723 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 2026-02-10T11:42:35,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09 2026-02-10T11:42:35,727 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 2026-02-10T11:42:35,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A 2026-02-10T11:42:35,731 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 2026-02-10T11:42:35,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A 2026-02-10T11:42:35,734 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 2026-02-10T11:42:35,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A 2026-02-10T11:42:35,738 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 2026-02-10T11:42:35,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A 2026-02-10T11:42:35,742 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 2026-02-10T11:42:35,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A 2026-02-10T11:42:35,746 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 2026-02-10T11:42:35,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B 2026-02-10T11:42:35,750 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 2026-02-10T11:42:35,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B 2026-02-10T11:42:35,754 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 2026-02-10T11:42:35,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A 2026-02-10T11:42:35,757 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 2026-02-10T11:42:35,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58 2026-02-10T11:42:35,761 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 2026-02-10T11:42:35,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47 2026-02-10T11:42:35,765 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 2026-02-10T11:42:35,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06 2026-02-10T11:42:35,768 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 2026-02-10T11:42:35,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A 2026-02-10T11:42:35,772 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 2026-02-10T11:42:35,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A 2026-02-10T11:42:35,777 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 2026-02-10T11:42:35,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B 2026-02-10T11:42:35,781 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 2026-02-10T11:42:35,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A 2026-02-10T11:42:35,785 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 2026-02-10T11:42:35,788 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B 2026-02-10T11:42:35,789 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 2026-02-10T11:42:35,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A 2026-02-10T11:42:35,792 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 2026-02-10T11:42:35,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14 2026-02-10T11:42:35,796 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 2026-02-10T11:42:35,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66 2026-02-10T11:42:35,800 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 2026-02-10T11:42:35,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51 2026-02-10T11:42:35,804 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 2026-02-10T11:42:35,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50 2026-02-10T11:42:35,808 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 2026-02-10T11:42:35,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A 2026-02-10T11:42:35,812 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 2026-02-10T11:42:35,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03 2026-02-10T11:42:35,816 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 2026-02-10T11:42:35,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A 2026-02-10T11:42:35,820 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 2026-02-10T11:42:35,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A 2026-02-10T11:42:35,824 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 2026-02-10T11:42:35,827 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A 2026-02-10T11:42:35,829 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 2026-02-10T11:42:35,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B 2026-02-10T11:42:35,834 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 2026-02-10T11:42:35,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B 2026-02-10T11:42:35,838 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 2026-02-10T11:42:35,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44 2026-02-10T11:42:35,841 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 2026-02-10T11:42:35,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35 2026-02-10T11:42:35,845 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 2026-02-10T11:42:35,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32 2026-02-10T11:42:35,849 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 2026-02-10T11:42:35,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B 2026-02-10T11:42:35,852 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 2026-02-10T11:42:35,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56 2026-02-10T11:42:35,856 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 2026-02-10T11:42:35,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A 2026-02-10T11:42:35,859 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 2026-02-10T11:42:35,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21 2026-02-10T11:42:35,863 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 2026-02-10T11:42:35,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A 2026-02-10T11:42:35,867 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 2026-02-10T11:42:35,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B 2026-02-10T11:42:35,871 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 2026-02-10T11:42:35,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B 2026-02-10T11:42:35,874 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 2026-02-10T11:42:35,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61 2026-02-10T11:42:35,878 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 2026-02-10T11:42:35,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A 2026-02-10T11:42:35,882 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 2026-02-10T11:42:35,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B 2026-02-10T11:42:35,885 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 2026-02-10T11:42:35,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B 2026-02-10T11:42:35,888 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 2026-02-10T11:42:35,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01 2026-02-10T11:42:35,892 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 2026-02-10T11:42:35,894 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08 2026-02-10T11:42:35,895 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 2026-02-10T11:42:35,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B 2026-02-10T11:42:35,899 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 2026-02-10T11:42:35,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37 2026-02-10T11:42:35,902 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 2026-02-10T11:42:35,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A 2026-02-10T11:42:35,906 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 2026-02-10T11:42:35,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11 2026-02-10T11:42:35,910 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 2026-02-10T11:42:35,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B 2026-02-10T11:42:35,913 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 2026-02-10T11:42:35,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B 2026-02-10T11:42:35,917 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 2026-02-10T11:42:35,920 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A 2026-02-10T11:42:35,921 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 2026-02-10T11:42:35,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A 2026-02-10T11:42:35,925 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 2026-02-10T11:42:35,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A 2026-02-10T11:42:35,929 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 2026-02-10T11:42:35,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A 2026-02-10T11:42:35,932 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 2026-02-10T11:42:35,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B 2026-02-10T11:42:35,936 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 2026-02-10T11:42:35,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A 2026-02-10T11:42:35,940 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 2026-02-10T11:42:35,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B 2026-02-10T11:42:35,943 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 2026-02-10T11:42:35,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38 2026-02-10T11:42:35,947 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 2026-02-10T11:42:35,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A 2026-02-10T11:42:35,951 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 2026-02-10T11:42:35,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A 2026-02-10T11:42:35,955 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 2026-02-10T11:42:35,958 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B 2026-02-10T11:42:35,959 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 2026-02-10T11:42:35,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A 2026-02-10T11:42:35,963 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 2026-02-10T11:42:35,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46 2026-02-10T11:42:35,966 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 2026-02-10T11:42:35,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07 2026-02-10T11:42:35,970 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 2026-02-10T11:42:35,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B 2026-02-10T11:42:35,974 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 2026-02-10T11:42:35,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A 2026-02-10T11:42:35,978 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 2026-02-10T11:42:35,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29 2026-02-10T11:42:35,982 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 2026-02-10T11:42:35,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B 2026-02-10T11:42:35,986 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 2026-02-10T11:42:35,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B 2026-02-10T11:42:35,990 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 2026-02-10T11:42:35,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60 2026-02-10T11:42:35,994 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 2026-02-10T11:42:35,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A 2026-02-10T11:42:35,998 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 2026-02-10T11:42:36,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A 2026-02-10T11:42:36,002 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 2026-02-10T11:42:36,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63 2026-02-10T11:42:36,006 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 2026-02-10T11:42:36,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B 2026-02-10T11:42:36,009 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 2026-02-10T11:42:36,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B 2026-02-10T11:42:36,013 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 2026-02-10T11:42:36,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A 2026-02-10T11:42:36,016 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 2026-02-10T11:42:36,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A 2026-02-10T11:42:36,020 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 2026-02-10T11:42:36,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64 2026-02-10T11:42:36,024 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 2026-02-10T11:42:36,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18 2026-02-10T11:42:36,028 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 2026-02-10T11:42:36,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A 2026-02-10T11:42:36,032 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 2026-02-10T11:42:36,035 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17 2026-02-10T11:42:36,037 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 2026-02-10T11:42:36,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B 2026-02-10T11:42:36,041 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 2026-02-10T11:42:36,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62 2026-02-10T11:42:36,044 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 2026-02-10T11:42:36,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A 2026-02-10T11:42:36,047 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 2026-02-10T11:42:36,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26 2026-02-10T11:42:36,051 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 2026-02-10T11:42:36,053 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B 2026-02-10T11:42:36,054 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 2026-02-10T11:42:36,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B 2026-02-10T11:42:36,058 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 2026-02-10T11:42:36,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B 2026-02-10T11:42:36,061 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 2026-02-10T11:42:36,064 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10 2026-02-10T11:42:36,066 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 2026-02-10T11:42:36,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39 2026-02-10T11:42:36,069 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 2026-02-10T11:42:36,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59 2026-02-10T11:42:36,073 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 2026-02-10T11:42:36,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05 2026-02-10T11:42:36,077 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 2026-02-10T11:42:36,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A 2026-02-10T11:42:36,081 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 2026-02-10T11:42:36,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A 2026-02-10T11:42:36,086 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 2026-02-10T11:42:36,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B 2026-02-10T11:42:36,089 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 2026-02-10T11:42:36,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B 2026-02-10T11:42:36,093 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 2026-02-10T11:42:36,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B 2026-02-10T11:42:36,097 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 2026-02-10T11:42:36,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02 2026-02-10T11:42:36,100 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 2026-02-10T11:42:36,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65 2026-02-10T11:42:36,104 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 2026-02-10T11:42:36,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13 2026-02-10T11:42:36,108 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 2026-02-10T11:42:36,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A 2026-02-10T11:42:36,112 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 2026-02-10T11:42:36,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B 2026-02-10T11:42:36,116 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 2026-02-10T11:42:36,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34 2026-02-10T11:42:36,119 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 2026-02-10T11:42:36,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15 2026-02-10T11:42:36,124 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 2026-02-10T11:42:36,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27 2026-02-10T11:42:36,127 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 2026-02-10T11:42:36,130 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A 2026-02-10T11:42:36,131 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 2026-02-10T11:42:36,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A 2026-02-10T11:42:36,134 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 2026-02-10T11:42:36,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B 2026-02-10T11:42:36,138 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 2026-02-10T11:42:36,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A 2026-02-10T11:42:36,142 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 2026-02-10T11:42:36,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B 2026-02-10T11:42:36,146 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 2026-02-10T11:42:36,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A 2026-02-10T11:42:36,150 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 2026-02-10T11:42:36,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B 2026-02-10T11:42:36,154 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 2026-02-10T11:42:36,156 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A 2026-02-10T11:42:36,158 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 2026-02-10T11:42:36,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B 2026-02-10T11:42:36,161 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 2026-02-10T11:42:36,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A 2026-02-10T11:42:36,165 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 2026-02-10T11:42:36,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B 2026-02-10T11:42:36,169 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 2026-02-10T11:42:36,172 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B 2026-02-10T11:42:36,173 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 2026-02-10T11:42:36,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31 2026-02-10T11:42:36,176 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 2026-02-10T11:42:36,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51 2026-02-10T11:42:36,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O 2026-02-10T11:42:36,183 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 2026-02-10T11:42:36,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran 2026-02-10T11:42:36,187 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 2026-02-10T11:42:36,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene 2026-02-10T11:42:36,192 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 2026-02-10T11:42:36,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH 2026-02-10T11:42:36,196 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 2026-02-10T11:42:36,198 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene 2026-02-10T11:42:36,199 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 2026-02-10T11:42:36,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene 2026-02-10T11:42:36,203 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 2026-02-10T11:42:36,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2 2026-02-10T11:42:36,207 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 2026-02-10T11:42:36,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene 2026-02-10T11:42:36,210 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 2026-02-10T11:42:36,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane 2026-02-10T11:42:36,214 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 2026-02-10T11:42:36,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane 2026-02-10T11:42:36,218 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 2026-02-10T11:42:36,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene 2026-02-10T11:42:36,222 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 2026-02-10T11:42:36,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane 2026-02-10T11:42:36,226 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 2026-02-10T11:42:36,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2 2026-02-10T11:42:36,230 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 2026-02-10T11:42:36,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO 2026-02-10T11:42:36,285 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 2026-02-10T11:42:36,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H 2026-02-10T11:42:36,289 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 2026-02-10T11:42:36,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3 2026-02-10T11:42:36,293 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 2026-02-10T11:42:36,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne 2026-02-10T11:42:36,298 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 2026-02-10T11:42:36,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine 2026-02-10T11:42:36,302 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 2026-02-10T11:42:36,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane 2026-02-10T11:42:36,306 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 2026-02-10T11:42:36,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl 2026-02-10T11:42:36,310 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 2026-02-10T11:42:36,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol 2026-02-10T11:42:36,314 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 2026-02-10T11:42:36,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2 2026-02-10T11:42:36,319 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 2026-02-10T11:42:36,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2 2026-02-10T11:42:36,323 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 2026-02-10T11:42:36,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3 2026-02-10T11:42:36,327 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 2026-02-10T11:42:36,331 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone 2026-02-10T11:42:36,332 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 2026-02-10T11:42:36,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2 2026-02-10T11:42:36,336 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 2026-02-10T11:42:36,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO 2026-02-10T11:42:36,340 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 2026-02-10T11:42:36,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane 2026-02-10T11:42:36,344 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 2026-02-10T11:42:36,348 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO 2026-02-10T11:42:36,349 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 2026-02-10T11:42:36,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11 2026-02-10T11:42:36,353 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 2026-02-10T11:42:36,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene 2026-02-10T11:42:36,358 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 2026-02-10T11:42:36,360 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3 2026-02-10T11:42:36,362 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 2026-02-10T11:42:36,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole 2026-02-10T11:42:36,365 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 2026-02-10T11:42:36,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H 2026-02-10T11:42:36,368 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 2026-02-10T11:42:36,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne 2026-02-10T11:42:36,372 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 2026-02-10T11:42:36,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole 2026-02-10T11:42:36,377 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 2026-02-10T11:42:36,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine 2026-02-10T11:42:36,381 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 2026-02-10T11:42:36,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene 2026-02-10T11:42:36,384 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 2026-02-10T11:42:36,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole 2026-02-10T11:42:36,387 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 2026-02-10T11:42:36,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene 2026-02-10T11:42:36,391 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 2026-02-10T11:42:36,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H 2026-02-10T11:42:36,394 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 2026-02-10T11:42:36,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S 2026-02-10T11:42:36,398 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 2026-02-10T11:42:36,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2 2026-02-10T11:42:36,402 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 2026-02-10T11:42:36,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne 2026-02-10T11:42:36,405 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 2026-02-10T11:42:36,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H 2026-02-10T11:42:36,409 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 2026-02-10T11:42:36,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane 2026-02-10T11:42:36,413 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 2026-02-10T11:42:36,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2 2026-02-10T11:42:36,416 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 2026-02-10T11:42:36,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO 2026-02-10T11:42:36,420 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 2026-02-10T11:42:36,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2 2026-02-10T11:42:36,424 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 2026-02-10T11:42:36,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran 2026-02-10T11:42:36,428 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 2026-02-10T11:42:36,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane 2026-02-10T11:42:36,431 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 2026-02-10T11:42:36,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene 2026-02-10T11:42:36,434 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 2026-02-10T11:42:36,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN 2026-02-10T11:42:36,438 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 2026-02-10T11:42:36,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO 2026-02-10T11:42:36,442 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 2026-02-10T11:42:36,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene 2026-02-10T11:42:36,445 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 2026-02-10T11:42:36,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2 2026-02-10T11:42:36,449 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 2026-02-10T11:42:36,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O 2026-02-10T11:42:36,453 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 2026-02-10T11:42:36,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne 2026-02-10T11:42:36,457 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 2026-02-10T11:42:36,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO 2026-02-10T11:42:36,461 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 2026-02-10T11:42:36,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene 2026-02-10T11:42:36,464 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 2026-02-10T11:42:36,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3 2026-02-10T11:42:36,468 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 2026-02-10T11:42:36,470 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene 2026-02-10T11:42:36,471 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 2026-02-10T11:42:36,474 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol 2026-02-10T11:42:36,475 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 2026-02-10T11:42:36,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2 2026-02-10T11:42:36,479 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 2026-02-10T11:42:36,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H 2026-02-10T11:42:36,484 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 2026-02-10T11:42:36,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2 2026-02-10T11:42:36,488 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 2026-02-10T11:42:36,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2 2026-02-10T11:42:36,493 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 2026-02-10T11:42:36,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN 2026-02-10T11:42:36,497 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 2026-02-10T11:42:36,500 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene 2026-02-10T11:42:36,501 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 2026-02-10T11:42:36,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2 2026-02-10T11:42:36,505 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 2026-02-10T11:42:36,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane 2026-02-10T11:42:36,508 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 2026-02-10T11:42:36,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane 2026-02-10T11:42:36,513 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 2026-02-10T11:42:36,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO 2026-02-10T11:42:36,517 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 2026-02-10T11:42:36,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2 2026-02-10T11:42:36,522 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 2026-02-10T11:42:36,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol 2026-02-10T11:42:36,525 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 2026-02-10T11:42:36,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2 2026-02-10T11:42:36,528 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 2026-02-10T11:42:36,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3 2026-02-10T11:42:36,533 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 2026-02-10T11:42:36,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene 2026-02-10T11:42:36,536 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 2026-02-10T11:42:36,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione 2026-02-10T11:42:36,540 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 2026-02-10T11:42:36,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane 2026-02-10T11:42:36,543 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 2026-02-10T11:42:36,546 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2 2026-02-10T11:42:36,547 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 2026-02-10T11:42:36,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2 2026-02-10T11:42:36,550 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 2026-02-10T11:42:36,554 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole 2026-02-10T11:42:36,555 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 2026-02-10T11:42:36,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol 2026-02-10T11:42:36,559 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 2026-02-10T11:42:36,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2 2026-02-10T11:42:36,563 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 2026-02-10T11:42:36,565 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2 2026-02-10T11:42:36,566 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 2026-02-10T11:42:36,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone 2026-02-10T11:42:36,570 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 2026-02-10T11:42:36,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC 2026-02-10T11:42:36,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17 2026-02-10T11:42:36,577 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 2026-02-10T11:42:36,579 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2 2026-02-10T11:42:36,580 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 2026-02-10T11:42:36,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co 2026-02-10T11:42:36,584 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 2026-02-10T11:42:36,586 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn 2026-02-10T11:42:36,587 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 2026-02-10T11:42:36,590 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl- 2026-02-10T11:42:36,591 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- 2026-02-10T11:42:36,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05 2026-02-10T11:42:36,596 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 2026-02-10T11:42:36,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts 2026-02-10T11:42:36,600 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 2026-02-10T11:42:36,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f 2026-02-10T11:42:36,605 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 2026-02-10T11:42:36,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl 2026-02-10T11:42:36,609 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 2026-02-10T11:42:36,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4 2026-02-10T11:42:36,613 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 2026-02-10T11:42:36,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh 2026-02-10T11:42:36,616 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 2026-02-10T11:42:36,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3 2026-02-10T11:42:36,619 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 2026-02-10T11:42:36,622 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4 2026-02-10T11:42:36,623 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 2026-02-10T11:42:36,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14 2026-02-10T11:42:36,627 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 2026-02-10T11:42:36,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts 2026-02-10T11:42:36,632 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 2026-02-10T11:42:36,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS 2026-02-10T11:42:36,636 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 2026-02-10T11:42:36,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1 2026-02-10T11:42:36,640 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 2026-02-10T11:42:36,643 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20 2026-02-10T11:42:36,644 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 2026-02-10T11:42:36,647 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc 2026-02-10T11:42:36,648 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 2026-02-10T11:42:36,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1 2026-02-10T11:42:36,653 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 2026-02-10T11:42:36,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o 2026-02-10T11:42:36,657 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 2026-02-10T11:42:36,660 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07 2026-02-10T11:42:36,661 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 2026-02-10T11:42:36,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp 2026-02-10T11:42:36,666 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 2026-02-10T11:42:36,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2 2026-02-10T11:42:36,670 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 2026-02-10T11:42:36,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5 2026-02-10T11:42:36,675 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 2026-02-10T11:42:36,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2 2026-02-10T11:42:36,678 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 2026-02-10T11:42:36,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2 2026-02-10T11:42:36,682 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 2026-02-10T11:42:36,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf 2026-02-10T11:42:36,685 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 2026-02-10T11:42:36,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7 2026-02-10T11:42:36,689 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 2026-02-10T11:42:36,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5 2026-02-10T11:42:36,692 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 2026-02-10T11:42:36,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18 2026-02-10T11:42:36,696 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 2026-02-10T11:42:36,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts 2026-02-10T11:42:36,700 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 2026-02-10T11:42:36,703 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH 2026-02-10T11:42:36,704 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 2026-02-10T11:42:36,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16 2026-02-10T11:42:36,707 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 2026-02-10T11:42:36,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10 2026-02-10T11:42:36,711 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 2026-02-10T11:42:36,714 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19 2026-02-10T11:42:36,715 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 2026-02-10T11:42:36,718 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts 2026-02-10T11:42:36,719 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 2026-02-10T11:42:36,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04 2026-02-10T11:42:36,723 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 2026-02-10T11:42:36,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2 2026-02-10T11:42:36,726 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 2026-02-10T11:42:36,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2 2026-02-10T11:42:36,730 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 2026-02-10T11:42:36,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02 2026-02-10T11:42:36,733 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 2026-02-10T11:42:36,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh- 2026-02-10T11:42:36,737 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- 2026-02-10T11:42:36,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8 2026-02-10T11:42:36,741 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 2026-02-10T11:42:36,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts 2026-02-10T11:42:36,745 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 2026-02-10T11:42:36,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22 2026-02-10T11:42:36,749 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 2026-02-10T11:42:36,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f- 2026-02-10T11:42:36,753 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- 2026-02-10T11:42:36,756 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S 2026-02-10T11:42:36,757 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 2026-02-10T11:42:36,760 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts 2026-02-10T11:42:36,761 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 2026-02-10T11:42:36,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts 2026-02-10T11:42:36,765 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 2026-02-10T11:42:36,767 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts 2026-02-10T11:42:36,768 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 2026-02-10T11:42:36,771 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp 2026-02-10T11:42:36,772 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 2026-02-10T11:42:36,775 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco 2026-02-10T11:42:36,776 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 2026-02-10T11:42:36,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15 2026-02-10T11:42:36,781 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 2026-02-10T11:42:36,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2 2026-02-10T11:42:36,784 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 2026-02-10T11:42:36,786 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06 2026-02-10T11:42:36,787 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 2026-02-10T11:42:36,790 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13 2026-02-10T11:42:36,792 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 2026-02-10T11:42:36,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11 2026-02-10T11:42:36,796 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 2026-02-10T11:42:36,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08 2026-02-10T11:42:36,800 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 2026-02-10T11:42:36,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf 2026-02-10T11:42:36,803 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 2026-02-10T11:42:36,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts 2026-02-10T11:42:36,807 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 2026-02-10T11:42:36,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O 2026-02-10T11:42:36,810 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 2026-02-10T11:42:36,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl 2026-02-10T11:42:36,815 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 2026-02-10T11:42:36,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H 2026-02-10T11:42:36,819 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 2026-02-10T11:42:36,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl 2026-02-10T11:42:36,823 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 2026-02-10T11:42:36,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts 2026-02-10T11:42:36,827 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 2026-02-10T11:42:36,829 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f 2026-02-10T11:42:36,831 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 2026-02-10T11:42:36,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12 2026-02-10T11:42:36,835 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 2026-02-10T11:42:36,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots 2026-02-10T11:42:36,838 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 2026-02-10T11:42:36,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts 2026-02-10T11:42:36,843 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 2026-02-10T11:42:36,846 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01 2026-02-10T11:42:36,848 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 2026-02-10T11:42:36,850 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2 2026-02-10T11:42:36,851 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 2026-02-10T11:42:36,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3 2026-02-10T11:42:36,854 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 2026-02-10T11:42:36,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O 2026-02-10T11:42:36,859 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 2026-02-10T11:42:36,862 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh 2026-02-10T11:42:36,863 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 2026-02-10T11:42:36,866 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2 2026-02-10T11:42:36,867 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 2026-02-10T11:42:36,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH 2026-02-10T11:42:36,870 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 2026-02-10T11:42:36,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts 2026-02-10T11:42:36,874 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 2026-02-10T11:42:36,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6 2026-02-10T11:42:36,878 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 2026-02-10T11:42:36,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts 2026-02-10T11:42:36,882 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 2026-02-10T11:42:36,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03 2026-02-10T11:42:36,885 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 2026-02-10T11:42:36,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3 2026-02-10T11:42:36,890 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 2026-02-10T11:42:36,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts 2026-02-10T11:42:36,894 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 2026-02-10T11:42:36,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09 2026-02-10T11:42:36,897 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 2026-02-10T11:42:36,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h 2026-02-10T11:42:36,901 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 2026-02-10T11:42:36,903 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts 2026-02-10T11:42:36,904 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 2026-02-10T11:42:36,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21 2026-02-10T11:42:36,907 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 2026-02-10T11:42:36,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23 2026-02-10T11:42:36,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a 2026-02-10T11:42:36,914 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 2026-02-10T11:42:36,917 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8 2026-02-10T11:42:36,919 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 2026-02-10T11:42:36,921 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b 2026-02-10T11:42:36,922 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 2026-02-10T11:42:36,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b 2026-02-10T11:42:36,926 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 2026-02-10T11:42:36,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a 2026-02-10T11:42:36,931 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 2026-02-10T11:42:36,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b 2026-02-10T11:42:36,934 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 2026-02-10T11:42:36,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a 2026-02-10T11:42:36,938 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 2026-02-10T11:42:36,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19 2026-02-10T11:42:36,942 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 2026-02-10T11:42:36,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b 2026-02-10T11:42:36,945 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 2026-02-10T11:42:36,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a 2026-02-10T11:42:36,949 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 2026-02-10T11:42:36,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b 2026-02-10T11:42:36,953 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 2026-02-10T11:42:36,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16 2026-02-10T11:42:36,957 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 2026-02-10T11:42:36,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9 2026-02-10T11:42:36,961 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 2026-02-10T11:42:36,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b 2026-02-10T11:42:36,966 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 2026-02-10T11:42:36,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a 2026-02-10T11:42:36,970 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 2026-02-10T11:42:36,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b 2026-02-10T11:42:36,974 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 2026-02-10T11:42:36,976 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a 2026-02-10T11:42:36,977 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 2026-02-10T11:42:36,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22 2026-02-10T11:42:36,982 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 2026-02-10T11:42:36,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b 2026-02-10T11:42:36,985 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 2026-02-10T11:42:36,987 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b 2026-02-10T11:42:36,988 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 2026-02-10T11:42:36,992 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b 2026-02-10T11:42:36,993 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 2026-02-10T11:42:36,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b 2026-02-10T11:42:36,997 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 2026-02-10T11:42:37,000 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12 2026-02-10T11:42:37,001 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 2026-02-10T11:42:37,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23 2026-02-10T11:42:37,004 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 2026-02-10T11:42:37,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a 2026-02-10T11:42:37,009 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 2026-02-10T11:42:37,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b 2026-02-10T11:42:37,013 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 2026-02-10T11:42:37,016 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20 2026-02-10T11:42:37,017 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 2026-02-10T11:42:37,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4 2026-02-10T11:42:37,021 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 2026-02-10T11:42:37,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a 2026-02-10T11:42:37,024 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 2026-02-10T11:42:37,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a 2026-02-10T11:42:37,028 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 2026-02-10T11:42:37,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a 2026-02-10T11:42:37,032 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 2026-02-10T11:42:37,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a 2026-02-10T11:42:37,035 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 2026-02-10T11:42:37,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3 2026-02-10T11:42:37,039 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 2026-02-10T11:42:37,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a 2026-02-10T11:42:37,042 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 2026-02-10T11:42:37,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a 2026-02-10T11:42:37,046 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 2026-02-10T11:42:37,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a 2026-02-10T11:42:37,049 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 2026-02-10T11:42:37,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14 2026-02-10T11:42:37,053 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 2026-02-10T11:42:37,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b 2026-02-10T11:42:37,056 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 2026-02-10T11:42:37,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b 2026-02-10T11:42:37,061 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 2026-02-10T11:42:37,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b 2026-02-10T11:42:37,064 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 2026-02-10T11:42:37,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2 2026-02-10T11:42:37,069 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 2026-02-10T11:42:37,073 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a 2026-02-10T11:42:37,074 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 2026-02-10T11:42:37,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7 2026-02-10T11:42:37,078 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 2026-02-10T11:42:37,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b 2026-02-10T11:42:37,082 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 2026-02-10T11:42:37,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a 2026-02-10T11:42:37,086 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 2026-02-10T11:42:37,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21 2026-02-10T11:42:37,091 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 2026-02-10T11:42:37,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a 2026-02-10T11:42:37,094 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 2026-02-10T11:42:37,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a 2026-02-10T11:42:37,097 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 2026-02-10T11:42:37,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b 2026-02-10T11:42:37,101 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 2026-02-10T11:42:37,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b 2026-02-10T11:42:37,104 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 2026-02-10T11:42:37,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11 2026-02-10T11:42:37,108 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 2026-02-10T11:42:37,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5 2026-02-10T11:42:37,112 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 2026-02-10T11:42:37,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a 2026-02-10T11:42:37,116 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 2026-02-10T11:42:37,119 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b 2026-02-10T11:42:37,120 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 2026-02-10T11:42:37,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a 2026-02-10T11:42:37,123 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 2026-02-10T11:42:37,126 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1 2026-02-10T11:42:37,128 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 2026-02-10T11:42:37,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a 2026-02-10T11:42:37,132 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 2026-02-10T11:42:37,134 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b 2026-02-10T11:42:37,135 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 2026-02-10T11:42:37,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18 2026-02-10T11:42:37,139 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 2026-02-10T11:42:37,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17 2026-02-10T11:42:37,143 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 2026-02-10T11:42:37,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6 2026-02-10T11:42:37,147 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 2026-02-10T11:42:37,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b 2026-02-10T11:42:37,151 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 2026-02-10T11:42:37,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10 2026-02-10T11:42:37,155 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 2026-02-10T11:42:37,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a 2026-02-10T11:42:37,158 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 2026-02-10T11:42:37,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b 2026-02-10T11:42:37,162 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 2026-02-10T11:42:37,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a 2026-02-10T11:42:37,165 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 2026-02-10T11:42:37,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13 2026-02-10T11:42:37,169 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 2026-02-10T11:42:37,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15 2026-02-10T11:42:37,172 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 2026-02-10T11:42:37,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b 2026-02-10T11:42:37,175 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 2026-02-10T11:42:37,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel 2026-02-10T11:42:37,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3 2026-02-10T11:42:37,181 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 2026-02-10T11:42:37,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42 2026-02-10T11:42:37,185 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 2026-02-10T11:42:37,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2 2026-02-10T11:42:37,188 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 2026-02-10T11:42:37,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42 2026-02-10T11:42:37,192 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 2026-02-10T11:42:37,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0 2026-02-10T11:42:37,195 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 2026-02-10T11:42:37,197 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2 2026-02-10T11:42:37,198 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 2026-02-10T11:42:37,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1 2026-02-10T11:42:37,202 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 2026-02-10T11:42:37,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1 2026-02-10T11:42:37,205 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 2026-02-10T11:42:37,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42 2026-02-10T11:42:37,209 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 2026-02-10T11:42:37,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41 2026-02-10T11:42:37,212 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 2026-02-10T11:42:37,215 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3 2026-02-10T11:42:37,216 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 2026-02-10T11:42:37,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4 2026-02-10T11:42:37,219 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 2026-02-10T11:42:37,222 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0 2026-02-10T11:42:37,223 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 2026-02-10T11:42:37,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3 2026-02-10T11:42:37,226 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 2026-02-10T11:42:37,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2 2026-02-10T11:42:37,229 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 2026-02-10T11:42:37,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43 2026-02-10T11:42:37,233 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 2026-02-10T11:42:37,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2 2026-02-10T11:42:37,237 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 2026-02-10T11:42:37,239 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71 2026-02-10T11:42:37,241 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 2026-02-10T11:42:37,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0 2026-02-10T11:42:37,244 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 2026-02-10T11:42:37,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1 2026-02-10T11:42:37,249 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 2026-02-10T11:42:37,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41 2026-02-10T11:42:37,253 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 2026-02-10T11:42:37,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0 2026-02-10T11:42:37,256 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 2026-02-10T11:42:37,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41 2026-02-10T11:42:37,261 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 2026-02-10T11:42:37,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72 2026-02-10T11:42:37,265 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 2026-02-10T11:42:37,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71 2026-02-10T11:42:37,270 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 2026-02-10T11:42:37,273 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1 2026-02-10T11:42:37,274 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 2026-02-10T11:42:37,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2 2026-02-10T11:42:37,278 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 2026-02-10T11:42:37,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3 2026-02-10T11:42:37,281 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 2026-02-10T11:42:37,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2 2026-02-10T11:42:37,284 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 2026-02-10T11:42:37,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72 2026-02-10T11:42:37,288 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 2026-02-10T11:42:37,291 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0 2026-02-10T11:42:37,292 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 2026-02-10T11:42:37,296 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20 2026-02-10T11:42:37,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48 2026-02-10T11:42:37,299 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 2026-02-10T11:42:37,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22 2026-02-10T11:42:37,303 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 2026-02-10T11:42:37,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26 2026-02-10T11:42:37,306 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 2026-02-10T11:42:37,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47 2026-02-10T11:42:37,310 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 2026-02-10T11:42:37,314 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43 2026-02-10T11:42:37,315 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 2026-02-10T11:42:37,318 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49 2026-02-10T11:42:37,319 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 2026-02-10T11:42:37,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20 2026-02-10T11:42:37,324 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 2026-02-10T11:42:37,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26 2026-02-10T11:42:37,327 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 2026-02-10T11:42:37,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43 2026-02-10T11:42:37,331 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 2026-02-10T11:42:37,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25 2026-02-10T11:42:37,336 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 2026-02-10T11:42:37,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51 2026-02-10T11:42:37,339 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 2026-02-10T11:42:37,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52 2026-02-10T11:42:37,343 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 2026-02-10T11:42:37,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60 2026-02-10T11:42:37,348 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 2026-02-10T11:42:37,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29 2026-02-10T11:42:37,352 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 2026-02-10T11:42:37,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56 2026-02-10T11:42:37,356 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 2026-02-10T11:42:37,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49 2026-02-10T11:42:37,360 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 2026-02-10T11:42:37,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48 2026-02-10T11:42:37,364 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 2026-02-10T11:42:37,367 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40 2026-02-10T11:42:37,369 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 2026-02-10T11:42:37,371 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40 2026-02-10T11:42:37,372 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 2026-02-10T11:42:37,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52 2026-02-10T11:42:37,377 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 2026-02-10T11:42:37,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21 2026-02-10T11:42:37,380 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 2026-02-10T11:42:37,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22 2026-02-10T11:42:37,384 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 2026-02-10T11:42:37,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51 2026-02-10T11:42:37,389 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 2026-02-10T11:42:37,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46 2026-02-10T11:42:37,393 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 2026-02-10T11:42:37,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57 2026-02-10T11:42:37,397 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 2026-02-10T11:42:37,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45 2026-02-10T11:42:37,402 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 2026-02-10T11:42:37,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44 2026-02-10T11:42:37,407 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 2026-02-10T11:42:37,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46 2026-02-10T11:42:37,411 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 2026-02-10T11:42:37,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45 2026-02-10T11:42:37,415 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 2026-02-10T11:42:37,417 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20 2026-02-10T11:42:37,418 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 2026-02-10T11:42:37,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60 2026-02-10T11:42:37,423 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 2026-02-10T11:42:37,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56 2026-02-10T11:42:37,426 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 2026-02-10T11:42:37,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44 2026-02-10T11:42:37,431 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 2026-02-10T11:42:37,433 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25 2026-02-10T11:42:37,435 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 2026-02-10T11:42:37,437 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47 2026-02-10T11:42:37,438 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 2026-02-10T11:42:37,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28 2026-02-10T11:42:37,443 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 2026-02-10T11:42:37,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18 2026-02-10T11:42:37,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22 2026-02-10T11:42:37,449 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 2026-02-10T11:42:37,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3 2026-02-10T11:42:37,455 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 2026-02-10T11:42:37,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22 2026-02-10T11:42:37,460 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 2026-02-10T11:42:37,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s 2026-02-10T11:42:37,464 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 2026-02-10T11:42:37,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2 2026-02-10T11:42:37,469 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 2026-02-10T11:42:37,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22 2026-02-10T11:42:37,473 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 2026-02-10T11:42:37,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2 2026-02-10T11:42:37,477 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 2026-02-10T11:42:37,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22 2026-02-10T11:42:37,482 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 2026-02-10T11:42:37,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22 2026-02-10T11:42:37,487 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 2026-02-10T11:42:37,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2 2026-02-10T11:42:37,491 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 2026-02-10T11:42:37,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2 2026-02-10T11:42:37,495 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 2026-02-10T11:42:37,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2 2026-02-10T11:42:37,500 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 2026-02-10T11:42:37,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3 2026-02-10T11:42:37,505 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 2026-02-10T11:42:37,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2 2026-02-10T11:42:37,510 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 2026-02-10T11:42:37,513 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22 2026-02-10T11:42:37,515 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 2026-02-10T11:42:37,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22 2026-02-10T11:42:37,520 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 2026-02-10T11:42:37,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3 2026-02-10T11:42:37,525 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 2026-02-10T11:42:37,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2 2026-02-10T11:42:37,530 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 2026-02-10T11:42:37,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s 2026-02-10T11:42:37,535 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 2026-02-10T11:42:37,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3 2026-02-10T11:42:37,540 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 2026-02-10T11:42:37,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s 2026-02-10T11:42:37,545 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 2026-02-10T11:42:37,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3 2026-02-10T11:42:37,549 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 2026-02-10T11:42:37,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3 2026-02-10T11:42:37,553 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 2026-02-10T11:42:37,557 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22 2026-02-10T11:42:37,558 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 2026-02-10T11:42:37,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2 2026-02-10T11:42:37,563 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 2026-02-10T11:42:37,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22 2026-02-10T11:42:37,567 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 2026-02-10T11:42:37,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2 2026-02-10T11:42:37,572 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 2026-02-10T11:42:37,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22 2026-02-10T11:42:37,576 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 2026-02-10T11:42:37,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2 2026-02-10T11:42:37,579 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 2026-02-10T11:42:37,582 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC 2026-02-10T11:42:37,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X 2026-02-10T11:42:37,585 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 2026-02-10T11:42:37,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein 2026-02-10T11:42:37,589 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 2026-02-10T11:42:37,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9 2026-02-10T11:42:37,593 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 2026-02-10T11:42:37,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1 2026-02-10T11:42:37,598 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 2026-02-10T11:42:37,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2 2026-02-10T11:42:37,601 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 2026-02-10T11:42:37,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3 2026-02-10T11:42:37,605 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 2026-02-10T11:42:37,608 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10 2026-02-10T11:42:37,609 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 2026-02-10T11:42:37,612 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane 2026-02-10T11:42:37,614 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 2026-02-10T11:42:37,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine 2026-02-10T11:42:37,617 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 2026-02-10T11:42:37,619 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene 2026-02-10T11:42:37,621 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 2026-02-10T11:42:37,623 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene 2026-02-10T11:42:37,625 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 2026-02-10T11:42:37,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene 2026-02-10T11:42:37,629 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 2026-02-10T11:42:37,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5 2026-02-10T11:42:37,633 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 2026-02-10T11:42:37,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X 2026-02-10T11:42:37,637 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 2026-02-10T11:42:37,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4 2026-02-10T11:42:37,641 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 2026-02-10T11:42:37,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X 2026-02-10T11:42:37,645 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 2026-02-10T11:42:37,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene 2026-02-10T11:42:37,649 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 2026-02-10T11:42:37,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X 2026-02-10T11:42:37,652 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 2026-02-10T11:42:37,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7 2026-02-10T11:42:37,656 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 2026-02-10T11:42:37,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8 2026-02-10T11:42:37,659 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 2026-02-10T11:42:37,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6 2026-02-10T11:42:37,663 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 2026-02-10T11:42:37,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH 2026-02-10T11:42:37,666 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 2026-02-10T11:42:37,670 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43 2026-02-10T11:42:37,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27 2026-02-10T11:42:37,673 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 2026-02-10T11:42:37,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32 2026-02-10T11:42:37,677 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 2026-02-10T11:42:37,681 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34 2026-02-10T11:42:37,682 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 2026-02-10T11:42:37,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22 2026-02-10T11:42:37,685 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 2026-02-10T11:42:37,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38 2026-02-10T11:42:37,689 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 2026-02-10T11:42:37,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31 2026-02-10T11:42:37,698 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 2026-02-10T11:42:37,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45 2026-02-10T11:42:37,702 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 2026-02-10T11:42:37,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6 2026-02-10T11:42:37,705 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 2026-02-10T11:42:37,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43 2026-02-10T11:42:37,710 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 2026-02-10T11:42:37,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21 2026-02-10T11:42:37,715 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 2026-02-10T11:42:37,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34 2026-02-10T11:42:37,719 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 2026-02-10T11:42:37,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7 2026-02-10T11:42:37,723 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 2026-02-10T11:42:37,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9 2026-02-10T11:42:37,727 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 2026-02-10T11:42:37,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29 2026-02-10T11:42:37,731 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 2026-02-10T11:42:37,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26 2026-02-10T11:42:37,735 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 2026-02-10T11:42:37,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37 2026-02-10T11:42:37,739 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 2026-02-10T11:42:37,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1 2026-02-10T11:42:37,743 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 2026-02-10T11:42:37,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26 2026-02-10T11:42:37,748 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 2026-02-10T11:42:37,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39 2026-02-10T11:42:37,752 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 2026-02-10T11:42:37,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44 2026-02-10T11:42:37,757 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 2026-02-10T11:42:37,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9 2026-02-10T11:42:37,762 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 2026-02-10T11:42:37,764 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32 2026-02-10T11:42:37,765 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 2026-02-10T11:42:37,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31 2026-02-10T11:42:37,769 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 2026-02-10T11:42:37,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19 2026-02-10T11:42:37,774 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 2026-02-10T11:42:37,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18 2026-02-10T11:42:37,778 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 2026-02-10T11:42:37,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16 2026-02-10T11:42:37,782 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 2026-02-10T11:42:37,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21 2026-02-10T11:42:37,786 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 2026-02-10T11:42:37,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41 2026-02-10T11:42:37,790 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 2026-02-10T11:42:37,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1 2026-02-10T11:42:37,795 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 2026-02-10T11:42:37,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18 2026-02-10T11:42:37,799 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 2026-02-10T11:42:37,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12 2026-02-10T11:42:37,804 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 2026-02-10T11:42:37,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29 2026-02-10T11:42:37,808 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 2026-02-10T11:42:37,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2 2026-02-10T11:42:37,812 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 2026-02-10T11:42:37,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17 2026-02-10T11:42:37,816 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 2026-02-10T11:42:37,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25 2026-02-10T11:42:37,820 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 2026-02-10T11:42:37,822 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40 2026-02-10T11:42:37,823 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 2026-02-10T11:42:37,826 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27 2026-02-10T11:42:37,827 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 2026-02-10T11:42:37,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40 2026-02-10T11:42:37,831 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 2026-02-10T11:42:37,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3 2026-02-10T11:42:37,834 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 2026-02-10T11:42:37,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24 2026-02-10T11:42:37,838 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 2026-02-10T11:42:37,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10 2026-02-10T11:42:37,842 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 2026-02-10T11:42:37,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13 2026-02-10T11:42:37,846 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 2026-02-10T11:42:37,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20 2026-02-10T11:42:37,850 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 2026-02-10T11:42:37,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30 2026-02-10T11:42:37,854 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 2026-02-10T11:42:37,856 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33 2026-02-10T11:42:37,857 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 2026-02-10T11:42:37,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4 2026-02-10T11:42:37,862 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 2026-02-10T11:42:37,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8 2026-02-10T11:42:37,866 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 2026-02-10T11:42:37,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22 2026-02-10T11:42:37,869 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 2026-02-10T11:42:37,872 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42 2026-02-10T11:42:37,873 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 2026-02-10T11:42:37,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15 2026-02-10T11:42:37,877 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 2026-02-10T11:42:37,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3 2026-02-10T11:42:37,881 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 2026-02-10T11:42:37,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23 2026-02-10T11:42:37,885 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 2026-02-10T11:42:37,888 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24 2026-02-10T11:42:37,889 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 2026-02-10T11:42:37,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11 2026-02-10T11:42:37,893 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 2026-02-10T11:42:37,896 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42 2026-02-10T11:42:37,897 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 2026-02-10T11:42:37,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39 2026-02-10T11:42:37,901 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 2026-02-10T11:42:37,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36 2026-02-10T11:42:37,905 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 2026-02-10T11:42:37,907 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12 2026-02-10T11:42:37,909 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 2026-02-10T11:42:37,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5 2026-02-10T11:42:37,912 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 2026-02-10T11:42:37,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23 2026-02-10T11:42:37,916 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 2026-02-10T11:42:37,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4 2026-02-10T11:42:37,920 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 2026-02-10T11:42:37,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43 2026-02-10T11:42:37,925 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 2026-02-10T11:42:37,927 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2 2026-02-10T11:42:37,929 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 2026-02-10T11:42:37,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15 2026-02-10T11:42:37,932 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 2026-02-10T11:42:37,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36 2026-02-10T11:42:37,936 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 2026-02-10T11:42:37,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37 2026-02-10T11:42:37,939 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 2026-02-10T11:42:37,942 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35 2026-02-10T11:42:37,943 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 2026-02-10T11:42:37,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19 2026-02-10T11:42:37,947 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 2026-02-10T11:42:37,949 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28 2026-02-10T11:42:37,950 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 2026-02-10T11:42:37,953 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33 2026-02-10T11:42:37,954 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 2026-02-10T11:42:37,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35 2026-02-10T11:42:37,957 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 2026-02-10T11:42:37,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5 2026-02-10T11:42:37,962 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 2026-02-10T11:42:37,965 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11 2026-02-10T11:42:37,966 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 2026-02-10T11:42:37,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45 2026-02-10T11:42:37,970 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 2026-02-10T11:42:37,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20 2026-02-10T11:42:37,974 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 2026-02-10T11:42:37,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38 2026-02-10T11:42:37,979 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 2026-02-10T11:42:37,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44 2026-02-10T11:42:37,983 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 2026-02-10T11:42:37,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16 2026-02-10T11:42:37,987 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 2026-02-10T11:42:37,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28 2026-02-10T11:42:37,991 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 2026-02-10T11:42:37,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17 2026-02-10T11:42:37,994 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 2026-02-10T11:42:37,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25 2026-02-10T11:42:37,998 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 2026-02-10T11:42:38,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30 2026-02-10T11:42:38,002 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 2026-02-10T11:42:38,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7 2026-02-10T11:42:38,007 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 2026-02-10T11:42:38,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8 2026-02-10T11:42:38,011 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 2026-02-10T11:42:38,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41 2026-02-10T11:42:38,015 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 2026-02-10T11:42:38,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13 2026-02-10T11:42:38,019 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 2026-02-10T11:42:38,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6 2026-02-10T11:42:38,023 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 2026-02-10T11:42:38,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10 2026-02-10T11:42:38,027 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 2026-02-10T11:42:38,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21 2026-02-10T11:42:38,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8 2026-02-10T11:42:38,034 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 2026-02-10T11:42:38,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B 2026-02-10T11:42:38,038 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 2026-02-10T11:42:38,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B 2026-02-10T11:42:38,042 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 2026-02-10T11:42:38,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B 2026-02-10T11:42:38,045 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 2026-02-10T11:42:38,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19 2026-02-10T11:42:38,048 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 2026-02-10T11:42:38,051 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B 2026-02-10T11:42:38,052 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 2026-02-10T11:42:38,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A 2026-02-10T11:42:38,056 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 2026-02-10T11:42:38,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16 2026-02-10T11:42:38,060 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 2026-02-10T11:42:38,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9 2026-02-10T11:42:38,063 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 2026-02-10T11:42:38,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B 2026-02-10T11:42:38,067 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 2026-02-10T11:42:38,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A 2026-02-10T11:42:38,071 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 2026-02-10T11:42:38,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B 2026-02-10T11:42:38,075 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 2026-02-10T11:42:38,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B 2026-02-10T11:42:38,079 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 2026-02-10T11:42:38,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12 2026-02-10T11:42:38,082 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 2026-02-10T11:42:38,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A 2026-02-10T11:42:38,085 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 2026-02-10T11:42:38,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B 2026-02-10T11:42:38,090 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 2026-02-10T11:42:38,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B 2026-02-10T11:42:38,095 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 2026-02-10T11:42:38,099 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A 2026-02-10T11:42:38,101 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 2026-02-10T11:42:38,104 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A 2026-02-10T11:42:38,105 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 2026-02-10T11:42:38,108 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B 2026-02-10T11:42:38,109 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 2026-02-10T11:42:38,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A 2026-02-10T11:42:38,114 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 2026-02-10T11:42:38,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20 2026-02-10T11:42:38,119 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 2026-02-10T11:42:38,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A 2026-02-10T11:42:38,124 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 2026-02-10T11:42:38,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A 2026-02-10T11:42:38,129 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 2026-02-10T11:42:38,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4 2026-02-10T11:42:38,134 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 2026-02-10T11:42:38,137 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A 2026-02-10T11:42:38,139 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 2026-02-10T11:42:38,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A 2026-02-10T11:42:38,143 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 2026-02-10T11:42:38,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B 2026-02-10T11:42:38,148 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 2026-02-10T11:42:38,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B 2026-02-10T11:42:38,152 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 2026-02-10T11:42:38,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A 2026-02-10T11:42:38,156 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 2026-02-10T11:42:38,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A 2026-02-10T11:42:38,162 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 2026-02-10T11:42:38,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3 2026-02-10T11:42:38,167 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 2026-02-10T11:42:38,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B 2026-02-10T11:42:38,172 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 2026-02-10T11:42:38,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A 2026-02-10T11:42:38,176 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 2026-02-10T11:42:38,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A 2026-02-10T11:42:38,180 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 2026-02-10T11:42:38,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A 2026-02-10T11:42:38,184 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 2026-02-10T11:42:38,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A 2026-02-10T11:42:38,188 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 2026-02-10T11:42:38,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14 2026-02-10T11:42:38,192 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 2026-02-10T11:42:38,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2 2026-02-10T11:42:38,196 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 2026-02-10T11:42:38,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7 2026-02-10T11:42:38,200 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 2026-02-10T11:42:38,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21 2026-02-10T11:42:38,204 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 2026-02-10T11:42:38,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B 2026-02-10T11:42:38,209 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 2026-02-10T11:42:38,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B 2026-02-10T11:42:38,213 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 2026-02-10T11:42:38,216 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B 2026-02-10T11:42:38,217 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 2026-02-10T11:42:38,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A 2026-02-10T11:42:38,221 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 2026-02-10T11:42:38,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11 2026-02-10T11:42:38,224 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 2026-02-10T11:42:38,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B 2026-02-10T11:42:38,228 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 2026-02-10T11:42:38,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5 2026-02-10T11:42:38,232 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 2026-02-10T11:42:38,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1 2026-02-10T11:42:38,236 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 2026-02-10T11:42:38,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B 2026-02-10T11:42:38,239 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 2026-02-10T11:42:38,242 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18 2026-02-10T11:42:38,243 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 2026-02-10T11:42:38,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17 2026-02-10T11:42:38,247 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 2026-02-10T11:42:38,250 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A 2026-02-10T11:42:38,251 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 2026-02-10T11:42:38,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6 2026-02-10T11:42:38,255 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 2026-02-10T11:42:38,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A 2026-02-10T11:42:38,259 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 2026-02-10T11:42:38,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B 2026-02-10T11:42:38,263 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 2026-02-10T11:42:38,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B 2026-02-10T11:42:38,267 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 2026-02-10T11:42:38,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10 2026-02-10T11:42:38,270 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 2026-02-10T11:42:38,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B 2026-02-10T11:42:38,273 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 2026-02-10T11:42:38,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13 2026-02-10T11:42:38,277 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 2026-02-10T11:42:38,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A 2026-02-10T11:42:38,281 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 2026-02-10T11:42:38,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15 2026-02-10T11:42:38,285 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 2026-02-10T11:42:38,287 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A 2026-02-10T11:42:38,289 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 2026-02-10T11:42:38,292 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6 2026-02-10T11:42:38,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B 2026-02-10T11:42:38,294 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 2026-02-10T11:42:38,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B 2026-02-10T11:42:38,298 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 2026-02-10T11:42:38,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22 2026-02-10T11:42:38,302 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 2026-02-10T11:42:38,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25 2026-02-10T11:42:38,306 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 2026-02-10T11:42:38,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23 2026-02-10T11:42:38,310 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 2026-02-10T11:42:38,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B 2026-02-10T11:42:38,314 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 2026-02-10T11:42:38,316 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24 2026-02-10T11:42:38,317 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 2026-02-10T11:42:38,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B 2026-02-10T11:42:38,321 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 2026-02-10T11:42:38,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B 2026-02-10T11:42:38,325 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 2026-02-10T11:42:38,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A 2026-02-10T11:42:38,329 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 2026-02-10T11:42:38,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A 2026-02-10T11:42:38,333 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 2026-02-10T11:42:38,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A 2026-02-10T11:42:38,337 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 2026-02-10T11:42:38,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A 2026-02-10T11:42:38,340 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 2026-02-10T11:42:38,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26 2026-02-10T11:42:38,344 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 2026-02-10T11:42:38,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A 2026-02-10T11:42:38,348 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 2026-02-10T11:42:38,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B 2026-02-10T11:42:38,352 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 2026-02-10T11:42:38,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27 2026-02-10T11:42:38,355 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 2026-02-10T11:42:38,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A 2026-02-10T11:42:38,359 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 2026-02-10T11:42:38,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10 2026-02-10T11:42:38,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef 2026-02-10T11:42:38,364 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 2026-02-10T11:42:38,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na 2026-02-10T11:42:38,369 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 2026-02-10T11:42:38,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o 2026-02-10T11:42:38,373 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 2026-02-10T11:42:38,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf 2026-02-10T11:42:38,377 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 2026-02-10T11:42:38,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio 2026-02-10T11:42:38,381 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 2026-02-10T11:42:38,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s 2026-02-10T11:42:38,384 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 2026-02-10T11:42:38,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li 2026-02-10T11:42:38,388 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 2026-02-10T11:42:38,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg 2026-02-10T11:42:38,394 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 2026-02-10T11:42:38,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo 2026-02-10T11:42:38,399 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 2026-02-10T11:42:38,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao 2026-02-10T11:42:38,403 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 2026-02-10T11:42:38,405 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo 2026-02-10T11:42:38,406 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 2026-02-10T11:42:38,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf 2026-02-10T11:42:38,410 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 2026-02-10T11:42:38,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs 2026-02-10T11:42:38,414 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 2026-02-10T11:42:38,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif 2026-02-10T11:42:38,417 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 2026-02-10T11:42:38,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k 2026-02-10T11:42:38,421 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 2026-02-10T11:42:38,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f 2026-02-10T11:42:38,425 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 2026-02-10T11:42:38,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca 2026-02-10T11:42:38,428 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 2026-02-10T11:42:38,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be 2026-02-10T11:42:38,432 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 2026-02-10T11:42:38,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao 2026-02-10T11:42:38,436 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 2026-02-10T11:42:38,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h 2026-02-10T11:42:38,439 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 2026-02-10T11:42:38,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22 2026-02-10T11:42:38,444 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a 2026-02-10T11:42:38,445 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 2026-02-10T11:42:38,448 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a 2026-02-10T11:42:38,449 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 2026-02-10T11:42:38,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b 2026-02-10T11:42:38,453 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 2026-02-10T11:42:38,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b 2026-02-10T11:42:38,456 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 2026-02-10T11:42:38,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19 2026-02-10T11:42:38,460 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 2026-02-10T11:42:38,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a 2026-02-10T11:42:38,463 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 2026-02-10T11:42:38,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16 2026-02-10T11:42:38,467 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 2026-02-10T11:42:38,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b 2026-02-10T11:42:38,470 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 2026-02-10T11:42:38,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a 2026-02-10T11:42:38,474 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 2026-02-10T11:42:38,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a 2026-02-10T11:42:38,477 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 2026-02-10T11:42:38,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22 2026-02-10T11:42:38,481 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 2026-02-10T11:42:38,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a 2026-02-10T11:42:38,484 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 2026-02-10T11:42:38,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b 2026-02-10T11:42:38,487 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 2026-02-10T11:42:38,490 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b 2026-02-10T11:42:38,491 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 2026-02-10T11:42:38,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12 2026-02-10T11:42:38,495 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 2026-02-10T11:42:38,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a 2026-02-10T11:42:38,499 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 2026-02-10T11:42:38,501 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b 2026-02-10T11:42:38,502 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 2026-02-10T11:42:38,505 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20 2026-02-10T11:42:38,506 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 2026-02-10T11:42:38,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a 2026-02-10T11:42:38,509 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 2026-02-10T11:42:38,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04 2026-02-10T11:42:38,513 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 2026-02-10T11:42:38,515 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a 2026-02-10T11:42:38,517 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 2026-02-10T11:42:38,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a 2026-02-10T11:42:38,521 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 2026-02-10T11:42:38,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09 2026-02-10T11:42:38,525 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 2026-02-10T11:42:38,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a 2026-02-10T11:42:38,529 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 2026-02-10T11:42:38,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06 2026-02-10T11:42:38,533 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 2026-02-10T11:42:38,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a 2026-02-10T11:42:38,536 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 2026-02-10T11:42:38,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14 2026-02-10T11:42:38,540 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 2026-02-10T11:42:38,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b 2026-02-10T11:42:38,544 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 2026-02-10T11:42:38,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b 2026-02-10T11:42:38,548 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 2026-02-10T11:42:38,551 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03 2026-02-10T11:42:38,553 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 2026-02-10T11:42:38,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a 2026-02-10T11:42:38,557 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 2026-02-10T11:42:38,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a 2026-02-10T11:42:38,561 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 2026-02-10T11:42:38,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a 2026-02-10T11:42:38,565 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 2026-02-10T11:42:38,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21 2026-02-10T11:42:38,568 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 2026-02-10T11:42:38,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b 2026-02-10T11:42:38,572 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 2026-02-10T11:42:38,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01 2026-02-10T11:42:38,577 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 2026-02-10T11:42:38,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08 2026-02-10T11:42:38,582 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 2026-02-10T11:42:38,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b 2026-02-10T11:42:38,586 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 2026-02-10T11:42:38,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11 2026-02-10T11:42:38,589 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 2026-02-10T11:42:38,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a 2026-02-10T11:42:38,594 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 2026-02-10T11:42:38,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b 2026-02-10T11:42:38,598 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 2026-02-10T11:42:38,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a 2026-02-10T11:42:38,602 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 2026-02-10T11:42:38,604 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07 2026-02-10T11:42:38,606 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 2026-02-10T11:42:38,609 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a 2026-02-10T11:42:38,610 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 2026-02-10T11:42:38,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18 2026-02-10T11:42:38,614 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 2026-02-10T11:42:38,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17 2026-02-10T11:42:38,618 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 2026-02-10T11:42:38,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b 2026-02-10T11:42:38,622 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 2026-02-10T11:42:38,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a 2026-02-10T11:42:38,625 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 2026-02-10T11:42:38,628 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10 2026-02-10T11:42:38,629 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 2026-02-10T11:42:38,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05 2026-02-10T11:42:38,633 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 2026-02-10T11:42:38,636 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a 2026-02-10T11:42:38,637 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 2026-02-10T11:42:38,640 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a 2026-02-10T11:42:38,641 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 2026-02-10T11:42:38,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02 2026-02-10T11:42:38,645 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 2026-02-10T11:42:38,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13 2026-02-10T11:42:38,649 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 2026-02-10T11:42:38,651 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15 2026-02-10T11:42:38,652 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 2026-02-10T11:42:38,655 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b 2026-02-10T11:42:38,656 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 2026-02-10T11:42:38,658 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a 2026-02-10T11:42:38,660 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 2026-02-10T11:42:38,664 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL 2026-02-10T11:42:38,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14 2026-02-10T11:42:38,667 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 2026-02-10T11:42:38,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31 2026-02-10T11:42:38,671 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 2026-02-10T11:42:38,673 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25 2026-02-10T11:42:38,674 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 2026-02-10T11:42:38,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21 2026-02-10T11:42:38,678 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 2026-02-10T11:42:38,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60 2026-02-10T11:42:38,683 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 2026-02-10T11:42:38,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3 2026-02-10T11:42:38,687 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 2026-02-10T11:42:38,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5 2026-02-10T11:42:38,691 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 2026-02-10T11:42:38,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64 2026-02-10T11:42:38,695 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 2026-02-10T11:42:38,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62 2026-02-10T11:42:38,699 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 2026-02-10T11:42:38,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43 2026-02-10T11:42:38,703 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 2026-02-10T11:42:38,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10 2026-02-10T11:42:38,706 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 2026-02-10T11:42:38,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18 2026-02-10T11:42:38,710 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 2026-02-10T11:42:38,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47 2026-02-10T11:42:38,717 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 2026-02-10T11:42:38,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26 2026-02-10T11:42:38,721 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 2026-02-10T11:42:38,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27 2026-02-10T11:42:38,725 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 2026-02-10T11:42:38,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4 2026-02-10T11:42:38,730 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 2026-02-10T11:42:38,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53 2026-02-10T11:42:38,733 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 2026-02-10T11:42:38,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20 2026-02-10T11:42:38,737 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 2026-02-10T11:42:38,740 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56 2026-02-10T11:42:38,741 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 2026-02-10T11:42:38,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58 2026-02-10T11:42:38,746 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 2026-02-10T11:42:38,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22 2026-02-10T11:42:38,749 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 2026-02-10T11:42:38,752 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65 2026-02-10T11:42:38,753 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 2026-02-10T11:42:38,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63 2026-02-10T11:42:38,756 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 2026-02-10T11:42:38,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61 2026-02-10T11:42:38,760 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 2026-02-10T11:42:38,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30 2026-02-10T11:42:38,764 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 2026-02-10T11:42:38,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38 2026-02-10T11:42:38,767 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 2026-02-10T11:42:38,770 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6 2026-02-10T11:42:38,771 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 2026-02-10T11:42:38,773 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41 2026-02-10T11:42:38,774 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 2026-02-10T11:42:38,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54 2026-02-10T11:42:38,778 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 2026-02-10T11:42:38,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57 2026-02-10T11:42:38,782 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 2026-02-10T11:42:38,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7 2026-02-10T11:42:38,786 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 2026-02-10T11:42:38,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15 2026-02-10T11:42:38,791 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 2026-02-10T11:42:38,793 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36 2026-02-10T11:42:38,794 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 2026-02-10T11:42:38,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2 2026-02-10T11:42:38,797 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 2026-02-10T11:42:38,804 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12 2026-02-10T11:42:38,805 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 2026-02-10T11:42:38,808 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59 2026-02-10T11:42:38,809 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 2026-02-10T11:42:38,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42 2026-02-10T11:42:38,814 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 2026-02-10T11:42:38,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8 2026-02-10T11:42:38,817 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 2026-02-10T11:42:38,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46 2026-02-10T11:42:38,821 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 2026-02-10T11:42:38,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29 2026-02-10T11:42:38,825 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 2026-02-10T11:42:38,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45 2026-02-10T11:42:38,830 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 2026-02-10T11:42:38,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34 2026-02-10T11:42:38,834 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 2026-02-10T11:42:38,837 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24 2026-02-10T11:42:38,838 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 2026-02-10T11:42:38,841 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48 2026-02-10T11:42:38,842 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 2026-02-10T11:42:38,845 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55 2026-02-10T11:42:38,846 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 2026-02-10T11:42:38,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16 2026-02-10T11:42:38,849 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 2026-02-10T11:42:38,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50 2026-02-10T11:42:38,852 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 2026-02-10T11:42:38,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1 2026-02-10T11:42:38,856 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 2026-02-10T11:42:38,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33 2026-02-10T11:42:38,860 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 2026-02-10T11:42:38,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40 2026-02-10T11:42:38,865 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 2026-02-10T11:42:38,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32 2026-02-10T11:42:38,869 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 2026-02-10T11:42:38,871 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35 2026-02-10T11:42:38,872 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 2026-02-10T11:42:38,875 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19 2026-02-10T11:42:38,876 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 2026-02-10T11:42:38,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11 2026-02-10T11:42:38,881 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 2026-02-10T11:42:38,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23 2026-02-10T11:42:38,884 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 2026-02-10T11:42:38,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49 2026-02-10T11:42:38,888 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 2026-02-10T11:42:38,891 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9 2026-02-10T11:42:38,892 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 2026-02-10T11:42:38,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39 2026-02-10T11:42:38,896 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 2026-02-10T11:42:38,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52 2026-02-10T11:42:38,900 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 2026-02-10T11:42:38,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17 2026-02-10T11:42:38,904 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 2026-02-10T11:42:38,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37 2026-02-10T11:42:38,907 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 2026-02-10T11:42:38,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44 2026-02-10T11:42:38,911 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 2026-02-10T11:42:38,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28 2026-02-10T11:42:38,916 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 2026-02-10T11:42:38,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51 2026-02-10T11:42:38,921 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 2026-02-10T11:42:38,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13 2026-02-10T11:42:38,925 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 2026-02-10T11:42:38,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP 2026-02-10T11:42:38,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f 2026-02-10T11:42:38,931 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 2026-02-10T11:42:38,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1 2026-02-10T11:42:38,935 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 2026-02-10T11:42:38,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l 2026-02-10T11:42:38,938 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 2026-02-10T11:42:38,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l 2026-02-10T11:42:38,942 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 2026-02-10T11:42:38,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22 2026-02-10T11:42:38,947 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 2026-02-10T11:42:38,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1 2026-02-10T11:42:38,951 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 2026-02-10T11:42:38,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f 2026-02-10T11:42:38,956 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 2026-02-10T11:42:38,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene 2026-02-10T11:42:38,961 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 2026-02-10T11:42:38,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2 2026-02-10T11:42:38,965 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 2026-02-10T11:42:38,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer 2026-02-10T11:42:38,968 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 2026-02-10T11:42:38,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2 2026-02-10T11:42:38,972 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 2026-02-10T11:42:38,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant 2026-02-10T11:42:38,976 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 2026-02-10T11:42:38,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2 2026-02-10T11:42:38,980 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 2026-02-10T11:42:38,983 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28 2026-02-10T11:42:38,985 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi 2026-02-10T11:42:38,986 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 2026-02-10T11:42:38,989 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi 2026-02-10T11:42:38,990 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 2026-02-10T11:42:38,993 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4 2026-02-10T11:42:38,994 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 2026-02-10T11:42:38,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3 2026-02-10T11:42:38,999 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 2026-02-10T11:42:39,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr 2026-02-10T11:42:39,004 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 2026-02-10T11:42:39,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2 2026-02-10T11:42:39,007 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 2026-02-10T11:42:39,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3 2026-02-10T11:42:39,011 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 2026-02-10T11:42:39,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2 2026-02-10T11:42:39,015 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 2026-02-10T11:42:39,018 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3 2026-02-10T11:42:39,019 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 2026-02-10T11:42:39,022 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2 2026-02-10T11:42:39,023 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 2026-02-10T11:42:39,026 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr 2026-02-10T11:42:39,027 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 2026-02-10T11:42:39,029 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3 2026-02-10T11:42:39,030 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 2026-02-10T11:42:39,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl 2026-02-10T11:42:39,034 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 2026-02-10T11:42:39,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s 2026-02-10T11:42:39,038 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 2026-02-10T11:42:39,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3 2026-02-10T11:42:39,042 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 2026-02-10T11:42:39,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi 2026-02-10T11:42:39,045 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 2026-02-10T11:42:39,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s 2026-02-10T11:42:39,049 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 2026-02-10T11:42:39,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2 2026-02-10T11:42:39,053 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 2026-02-10T11:42:39,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3 2026-02-10T11:42:39,057 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 2026-02-10T11:42:39,060 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr 2026-02-10T11:42:39,061 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 2026-02-10T11:42:39,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl 2026-02-10T11:42:39,064 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 2026-02-10T11:42:39,067 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o 2026-02-10T11:42:39,068 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 2026-02-10T11:42:39,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr 2026-02-10T11:42:39,072 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 2026-02-10T11:42:39,074 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi 2026-02-10T11:42:39,075 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 2026-02-10T11:42:39,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl 2026-02-10T11:42:39,079 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 2026-02-10T11:42:39,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o 2026-02-10T11:42:39,083 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 2026-02-10T11:42:39,086 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl 2026-02-10T11:42:39,087 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 2026-02-10T11:42:39,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s 2026-02-10T11:42:39,091 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 2026-02-10T11:42:39,094 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl 2026-02-10T11:42:39,095 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 2026-02-10T11:42:39,098 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s 2026-02-10T11:42:39,099 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 2026-02-10T11:42:39,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o 2026-02-10T11:42:39,103 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 2026-02-10T11:42:39,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3 2026-02-10T11:42:39,106 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 2026-02-10T11:42:39,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o 2026-02-10T11:42:39,110 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 2026-02-10T11:42:39,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o 2026-02-10T11:42:39,114 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 2026-02-10T11:42:39,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr 2026-02-10T11:42:39,118 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 2026-02-10T11:42:39,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2 2026-02-10T11:42:39,122 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 2026-02-10T11:42:39,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2 2026-02-10T11:42:39,127 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 2026-02-10T11:42:39,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi 2026-02-10T11:42:39,130 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 2026-02-10T11:42:39,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP 2026-02-10T11:42:39,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8 2026-02-10T11:42:39,136 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 2026-02-10T11:42:39,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30 2026-02-10T11:42:39,139 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 2026-02-10T11:42:39,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74 2026-02-10T11:42:39,143 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 2026-02-10T11:42:39,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43 2026-02-10T11:42:39,148 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 2026-02-10T11:42:39,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c 2026-02-10T11:42:39,151 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 2026-02-10T11:42:39,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na 2026-02-10T11:42:39,155 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 2026-02-10T11:42:39,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19 2026-02-10T11:42:39,158 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 2026-02-10T11:42:39,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64 2026-02-10T11:42:39,162 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 2026-02-10T11:42:39,165 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61 2026-02-10T11:42:39,165 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 2026-02-10T11:42:39,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65 2026-02-10T11:42:39,170 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 2026-02-10T11:42:39,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl 2026-02-10T11:42:39,174 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 2026-02-10T11:42:39,176 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76 2026-02-10T11:42:39,177 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 2026-02-10T11:42:39,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2026-02-10T11:42:39,181 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o 2026-02-10T11:42:39,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45 2026-02-10T11:42:39,185 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 2026-02-10T11:42:39,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22 2026-02-10T11:42:39,188 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 2026-02-10T11:42:39,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25 2026-02-10T11:42:39,191 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 2026-02-10T11:42:39,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12 2026-02-10T11:42:39,196 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 2026-02-10T11:42:39,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48 2026-02-10T11:42:39,200 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 2026-02-10T11:42:39,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20 2026-02-10T11:42:39,203 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 2026-02-10T11:42:39,206 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al 2026-02-10T11:42:39,207 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 2026-02-10T11:42:39,210 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65 2026-02-10T11:42:39,211 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 2026-02-10T11:42:39,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s 2026-02-10T11:42:39,214 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 2026-02-10T11:42:39,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73 2026-02-10T11:42:39,218 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 2026-02-10T11:42:39,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li 2026-02-10T11:42:39,222 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 2026-02-10T11:42:39,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+ 2026-02-10T11:42:39,226 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+ 2026-02-10T11:42:39,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+ 2026-02-10T11:42:39,230 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+ 2026-02-10T11:42:39,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n 2026-02-10T11:42:39,234 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 2026-02-10T11:42:39,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+ 2026-02-10T11:42:39,237 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+ 2026-02-10T11:42:39,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60 2026-02-10T11:42:39,242 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 2026-02-10T11:42:39,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59 2026-02-10T11:42:39,246 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 2026-02-10T11:42:39,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg 2026-02-10T11:42:39,250 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 2026-02-10T11:42:39,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80 2026-02-10T11:42:39,253 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 2026-02-10T11:42:39,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70 2026-02-10T11:42:39,257 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 2026-02-10T11:42:39,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66 2026-02-10T11:42:39,260 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 2026-02-10T11:42:39,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+ 2026-02-10T11:42:39,264 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+ 2026-02-10T11:42:39,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p 2026-02-10T11:42:39,267 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 2026-02-10T11:42:39,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14 2026-02-10T11:42:39,271 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 2026-02-10T11:42:39,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68 2026-02-10T11:42:39,275 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 2026-02-10T11:42:39,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51 2026-02-10T11:42:39,279 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 2026-02-10T11:42:39,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44 2026-02-10T11:42:39,283 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 2026-02-10T11:42:39,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b 2026-02-10T11:42:39,287 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 2026-02-10T11:42:39,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+ 2026-02-10T11:42:39,290 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+ 2026-02-10T11:42:39,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71 2026-02-10T11:42:39,294 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 2026-02-10T11:42:39,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63 2026-02-10T11:42:39,298 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 2026-02-10T11:42:39,300 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+ 2026-02-10T11:42:39,301 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+ 2026-02-10T11:42:39,304 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+ 2026-02-10T11:42:39,305 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+ 2026-02-10T11:42:39,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62 2026-02-10T11:42:39,308 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 2026-02-10T11:42:39,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37 2026-02-10T11:42:39,312 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 2026-02-10T11:42:39,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11 2026-02-10T11:42:39,316 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 2026-02-10T11:42:39,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+ 2026-02-10T11:42:39,320 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+ 2026-02-10T11:42:39,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137 2026-02-10T11:42:39,323 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 2026-02-10T11:42:39,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18 2026-02-10T11:42:39,326 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 2026-02-10T11:42:39,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f 2026-02-10T11:42:39,330 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 2026-02-10T11:42:39,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26 2026-02-10T11:42:39,334 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 2026-02-10T11:42:39,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+ 2026-02-10T11:42:39,337 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+ 2026-02-10T11:42:39,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67 2026-02-10T11:42:39,341 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 2026-02-10T11:42:39,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72 2026-02-10T11:42:39,345 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 2026-02-10T11:42:39,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78 2026-02-10T11:42:39,349 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 2026-02-10T11:42:39,351 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+ 2026-02-10T11:42:39,353 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+ 2026-02-10T11:42:39,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13 2026-02-10T11:42:39,356 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 2026-02-10T11:42:39,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+ 2026-02-10T11:42:39,360 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+ 2026-02-10T11:42:39,363 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34 2026-02-10T11:42:39,364 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 2026-02-10T11:42:39,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+ 2026-02-10T11:42:39,367 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+ 2026-02-10T11:42:39,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+ 2026-02-10T11:42:39,371 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+ 2026-02-10T11:42:39,373 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be 2026-02-10T11:42:39,374 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 2026-02-10T11:42:39,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si 2026-02-10T11:42:39,379 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 2026-02-10T11:42:39,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77 2026-02-10T11:42:39,382 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 2026-02-10T11:42:39,385 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79 2026-02-10T11:42:39,386 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 2026-02-10T11:42:39,388 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75 2026-02-10T11:42:39,389 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 2026-02-10T11:42:39,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h 2026-02-10T11:42:39,393 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 2026-02-10T11:42:39,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+ 2026-02-10T11:42:39,396 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+ 2026-02-10T11:42:39,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13 2026-02-10T11:42:39,401 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4 2026-02-10T11:42:39,402 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 2026-02-10T11:42:39,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6 2026-02-10T11:42:39,405 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 2026-02-10T11:42:39,408 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4 2026-02-10T11:42:39,409 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 2026-02-10T11:42:39,412 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3 2026-02-10T11:42:39,413 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 2026-02-10T11:42:39,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf 2026-02-10T11:42:39,416 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 2026-02-10T11:42:39,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2 2026-02-10T11:42:39,419 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 2026-02-10T11:42:39,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3 2026-02-10T11:42:39,422 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 2026-02-10T11:42:39,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts 2026-02-10T11:42:39,426 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 2026-02-10T11:42:39,428 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts 2026-02-10T11:42:39,429 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 2026-02-10T11:42:39,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts 2026-02-10T11:42:39,432 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 2026-02-10T11:42:39,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts 2026-02-10T11:42:39,436 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 2026-02-10T11:42:39,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts 2026-02-10T11:42:39,439 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 2026-02-10T11:42:39,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts 2026-02-10T11:42:39,443 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 2026-02-10T11:42:39,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts 2026-02-10T11:42:39,446 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 2026-02-10T11:42:39,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4 2026-02-10T11:42:39,450 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 2026-02-10T11:42:39,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3 2026-02-10T11:42:39,453 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 2026-02-10T11:42:39,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts 2026-02-10T11:42:39,456 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 2026-02-10T11:42:39,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6 2026-02-10T11:42:39,460 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 2026-02-10T11:42:39,462 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2 2026-02-10T11:42:39,463 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 2026-02-10T11:42:39,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts 2026-02-10T11:42:39,466 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 2026-02-10T11:42:39,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts 2026-02-10T11:42:39,470 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 2026-02-10T11:42:39,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2 2026-02-10T11:42:39,473 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 2026-02-10T11:42:39,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts 2026-02-10T11:42:39,478 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 2026-02-10T11:42:39,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5 2026-02-10T11:42:39,482 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 2026-02-10T11:42:39,484 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts 2026-02-10T11:42:39,485 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 2026-02-10T11:42:39,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o 2026-02-10T11:42:39,489 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 2026-02-10T11:42:39,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3 2026-02-10T11:42:39,492 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 2026-02-10T11:42:39,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts 2026-02-10T11:42:39,496 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 2026-02-10T11:42:39,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5 2026-02-10T11:42:39,499 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 2026-02-10T11:42:39,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4 2026-02-10T11:42:39,504 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae 2026-02-10T11:42:39,505 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 2026-02-10T11:42:39,508 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab 2026-02-10T11:42:39,509 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 2026-02-10T11:42:39,511 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap 2026-02-10T11:42:39,512 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 2026-02-10T11:42:39,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq 2026-02-10T11:42:39,517 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 2026-02-10T11:42:39,520 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak 2026-02-10T11:42:39,521 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 2026-02-10T11:42:39,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao 2026-02-10T11:42:39,525 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 2026-02-10T11:42:39,528 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar 2026-02-10T11:42:39,529 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 2026-02-10T11:42:39,531 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag 2026-02-10T11:42:39,532 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 2026-02-10T11:42:39,535 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm 2026-02-10T11:42:39,536 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 2026-02-10T11:42:39,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan 2026-02-10T11:42:39,541 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 2026-02-10T11:42:39,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak 2026-02-10T11:42:39,545 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 2026-02-10T11:42:39,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf 2026-02-10T11:42:39,550 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 2026-02-10T11:42:39,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq 2026-02-10T11:42:39,553 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 2026-02-10T11:42:39,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah 2026-02-10T11:42:39,557 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 2026-02-10T11:42:39,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal 2026-02-10T11:42:39,561 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 2026-02-10T11:42:39,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai 2026-02-10T11:42:39,566 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 2026-02-10T11:42:39,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan 2026-02-10T11:42:39,570 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 2026-02-10T11:42:39,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci 2026-02-10T11:42:39,573 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 2026-02-10T11:42:39,576 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac 2026-02-10T11:42:39,578 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 2026-02-10T11:42:39,581 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal 2026-02-10T11:42:39,582 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 2026-02-10T11:42:39,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat 2026-02-10T11:42:39,586 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 2026-02-10T11:42:39,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap 2026-02-10T11:42:39,591 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 2026-02-10T11:42:39,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah 2026-02-10T11:42:39,595 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 2026-02-10T11:42:39,597 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak 2026-02-10T11:42:39,598 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 2026-02-10T11:42:39,601 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab 2026-02-10T11:42:39,603 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 2026-02-10T11:42:39,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad 2026-02-10T11:42:39,607 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 2026-02-10T11:42:39,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav 2026-02-10T11:42:39,612 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 2026-02-10T11:42:39,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf 2026-02-10T11:42:39,616 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 2026-02-10T11:42:39,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag 2026-02-10T11:42:39,621 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 2026-02-10T11:42:39,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao 2026-02-10T11:42:39,625 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 2026-02-10T11:42:39,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw 2026-02-10T11:42:39,628 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 2026-02-10T11:42:39,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal 2026-02-10T11:42:39,632 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 2026-02-10T11:42:39,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo 2026-02-10T11:42:39,635 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 2026-02-10T11:42:39,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav 2026-02-10T11:42:39,639 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 2026-02-10T11:42:39,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar 2026-02-10T11:42:39,643 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 2026-02-10T11:42:39,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae 2026-02-10T11:42:39,646 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 2026-02-10T11:42:39,649 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj 2026-02-10T11:42:39,650 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 2026-02-10T11:42:39,653 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag 2026-02-10T11:42:39,654 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 2026-02-10T11:42:39,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao 2026-02-10T11:42:39,658 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 2026-02-10T11:42:39,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag 2026-02-10T11:42:39,662 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 2026-02-10T11:42:39,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf 2026-02-10T11:42:39,666 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 2026-02-10T11:42:39,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz 2026-02-10T11:42:39,670 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 2026-02-10T11:42:39,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq 2026-02-10T11:42:39,673 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 2026-02-10T11:42:39,676 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah 2026-02-10T11:42:39,677 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 2026-02-10T11:42:39,680 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae 2026-02-10T11:42:39,681 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 2026-02-10T11:42:39,684 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad 2026-02-10T11:42:39,685 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 2026-02-10T11:42:39,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi 2026-02-10T11:42:39,689 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 2026-02-10T11:42:39,691 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab 2026-02-10T11:42:39,692 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 2026-02-10T11:42:39,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby 2026-02-10T11:42:39,696 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 2026-02-10T11:42:39,700 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx 2026-02-10T11:42:39,701 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 2026-02-10T11:42:39,704 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah 2026-02-10T11:42:39,705 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 2026-02-10T11:42:39,708 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag 2026-02-10T11:42:39,710 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 2026-02-10T11:42:39,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae 2026-02-10T11:42:39,714 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 2026-02-10T11:42:39,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah 2026-02-10T11:42:39,717 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 2026-02-10T11:42:39,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan 2026-02-10T11:42:39,721 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 2026-02-10T11:42:39,725 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab 2026-02-10T11:42:39,726 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 2026-02-10T11:42:39,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad 2026-02-10T11:42:39,731 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 2026-02-10T11:42:39,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv 2026-02-10T11:42:39,735 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 2026-02-10T11:42:39,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad 2026-02-10T11:42:39,739 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 2026-02-10T11:42:39,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar 2026-02-10T11:42:39,743 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 2026-02-10T11:42:39,746 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam 2026-02-10T11:42:39,747 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 2026-02-10T11:42:39,750 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah 2026-02-10T11:42:39,752 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 2026-02-10T11:42:39,754 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac 2026-02-10T11:42:39,755 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 2026-02-10T11:42:39,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar 2026-02-10T11:42:39,760 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 2026-02-10T11:42:39,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf 2026-02-10T11:42:39,764 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 2026-02-10T11:42:39,768 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah 2026-02-10T11:42:39,769 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 2026-02-10T11:42:39,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj 2026-02-10T11:42:39,773 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 2026-02-10T11:42:39,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan 2026-02-10T11:42:39,777 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 2026-02-10T11:42:39,781 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab 2026-02-10T11:42:39,782 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 2026-02-10T11:42:39,785 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah 2026-02-10T11:42:39,786 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 2026-02-10T11:42:39,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf 2026-02-10T11:42:39,790 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 2026-02-10T11:42:39,792 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau 2026-02-10T11:42:39,793 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 2026-02-10T11:42:39,796 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav 2026-02-10T11:42:39,797 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 2026-02-10T11:42:39,801 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf 2026-02-10T11:42:39,802 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 2026-02-10T11:42:39,805 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad 2026-02-10T11:42:39,806 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 2026-02-10T11:42:39,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae 2026-02-10T11:42:39,810 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 2026-02-10T11:42:39,812 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq 2026-02-10T11:42:39,813 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 2026-02-10T11:42:39,816 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak 2026-02-10T11:42:39,817 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 2026-02-10T11:42:39,820 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau 2026-02-10T11:42:39,821 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 2026-02-10T11:42:39,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap 2026-02-10T11:42:39,825 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 2026-02-10T11:42:39,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak 2026-02-10T11:42:39,829 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 2026-02-10T11:42:39,832 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai 2026-02-10T11:42:39,833 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 2026-02-10T11:42:39,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai 2026-02-10T11:42:39,837 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 2026-02-10T11:42:39,840 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal 2026-02-10T11:42:39,841 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 2026-02-10T11:42:39,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb 2026-02-10T11:42:39,845 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 2026-02-10T11:42:39,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac 2026-02-10T11:42:39,850 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 2026-02-10T11:42:39,853 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac 2026-02-10T11:42:39,854 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 2026-02-10T11:42:39,857 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal 2026-02-10T11:42:39,858 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 2026-02-10T11:42:39,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat 2026-02-10T11:42:39,862 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 2026-02-10T11:42:39,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad 2026-02-10T11:42:39,866 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 2026-02-10T11:42:39,869 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab 2026-02-10T11:42:39,870 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 2026-02-10T11:42:39,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc 2026-02-10T11:42:39,874 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 2026-02-10T11:42:39,877 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj 2026-02-10T11:42:39,878 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 2026-02-10T11:42:39,881 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag 2026-02-10T11:42:39,882 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 2026-02-10T11:42:39,884 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab 2026-02-10T11:42:39,886 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 2026-02-10T11:42:39,889 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas 2026-02-10T11:42:39,890 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 2026-02-10T11:42:39,893 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag 2026-02-10T11:42:39,894 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 2026-02-10T11:42:39,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad 2026-02-10T11:42:39,898 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 2026-02-10T11:42:39,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay 2026-02-10T11:42:39,902 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 2026-02-10T11:42:39,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag 2026-02-10T11:42:39,906 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 2026-02-10T11:42:39,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24 2026-02-10T11:42:39,911 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS 2026-02-10T11:42:39,912 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 2026-02-10T11:42:39,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS 2026-02-10T11:42:39,917 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 2026-02-10T11:42:39,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS 2026-02-10T11:42:39,920 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 2026-02-10T11:42:39,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene 2026-02-10T11:42:39,925 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 2026-02-10T11:42:39,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS 2026-02-10T11:42:39,929 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 2026-02-10T11:42:39,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS 2026-02-10T11:42:39,933 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 2026-02-10T11:42:39,936 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene 2026-02-10T11:42:39,937 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 2026-02-10T11:42:39,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS 2026-02-10T11:42:39,941 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 2026-02-10T11:42:39,943 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS 2026-02-10T11:42:39,945 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 2026-02-10T11:42:39,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS 2026-02-10T11:42:39,949 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 2026-02-10T11:42:39,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS 2026-02-10T11:42:39,953 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 2026-02-10T11:42:39,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene 2026-02-10T11:42:39,956 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 2026-02-10T11:42:39,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS 2026-02-10T11:42:39,960 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 2026-02-10T11:42:39,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS 2026-02-10T11:42:39,963 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 2026-02-10T11:42:39,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS 2026-02-10T11:42:39,968 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 2026-02-10T11:42:39,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene 2026-02-10T11:42:39,972 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 2026-02-10T11:42:39,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene 2026-02-10T11:42:39,976 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 2026-02-10T11:42:39,978 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine 2026-02-10T11:42:39,979 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 2026-02-10T11:42:39,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene 2026-02-10T11:42:39,983 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 2026-02-10T11:42:39,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS 2026-02-10T11:42:39,988 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 2026-02-10T11:42:39,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS 2026-02-10T11:42:39,993 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 2026-02-10T11:42:39,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether 2026-02-10T11:42:39,997 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 2026-02-10T11:42:39,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS 2026-02-10T11:42:40,000 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 2026-02-10T11:42:40,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS 2026-02-10T11:42:40,004 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 2026-02-10T11:42:40,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S 2026-02-10T11:42:40,008 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 2026-02-10T11:42:40,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3 2026-02-10T11:42:40,012 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 2026-02-10T11:42:40,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS 2026-02-10T11:42:40,016 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 2026-02-10T11:42:40,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS 2026-02-10T11:42:40,020 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 2026-02-10T11:42:40,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene 2026-02-10T11:42:40,024 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 2026-02-10T11:42:40,027 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3 2026-02-10T11:42:40,028 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 2026-02-10T11:42:40,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph 2026-02-10T11:42:40,032 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 2026-02-10T11:42:40,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole 2026-02-10T11:42:40,035 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 2026-02-10T11:42:40,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS 2026-02-10T11:42:40,039 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 2026-02-10T11:42:40,042 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS 2026-02-10T11:42:40,043 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 2026-02-10T11:42:40,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene 2026-02-10T11:42:40,047 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 2026-02-10T11:42:40,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3 2026-02-10T11:42:40,051 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 2026-02-10T11:42:40,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS 2026-02-10T11:42:40,055 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 2026-02-10T11:42:40,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene 2026-02-10T11:42:40,059 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 2026-02-10T11:42:40,062 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O 2026-02-10T11:42:40,063 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 2026-02-10T11:42:40,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3 2026-02-10T11:42:40,066 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 2026-02-10T11:42:40,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2 2026-02-10T11:42:40,069 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 2026-02-10T11:42:40,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS 2026-02-10T11:42:40,073 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 2026-02-10T11:42:40,077 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3 2026-02-10T11:42:40,078 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 2026-02-10T11:42:40,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene 2026-02-10T11:42:40,082 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 2026-02-10T11:42:40,084 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene 2026-02-10T11:42:40,086 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 2026-02-10T11:42:40,089 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS 2026-02-10T11:42:40,090 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 2026-02-10T11:42:40,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether 2026-02-10T11:42:40,094 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 2026-02-10T11:42:40,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS 2026-02-10T11:42:40,098 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 2026-02-10T11:42:40,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF 2026-02-10T11:42:40,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10 2026-02-10T11:42:40,104 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 2026-02-10T11:42:40,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2 2026-02-10T11:42:40,108 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 2026-02-10T11:42:40,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4 2026-02-10T11:42:40,112 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 2026-02-10T11:42:40,115 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4 2026-02-10T11:42:40,116 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 2026-02-10T11:42:40,120 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3 2026-02-10T11:42:40,121 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 2026-02-10T11:42:40,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5 2026-02-10T11:42:40,125 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 2026-02-10T11:42:40,128 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13 2026-02-10T11:42:40,129 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 2026-02-10T11:42:40,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15 2026-02-10T11:42:40,133 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 2026-02-10T11:42:40,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11 2026-02-10T11:42:40,137 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 2026-02-10T11:42:40,139 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14 2026-02-10T11:42:40,140 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 2026-02-10T11:42:40,142 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2 2026-02-10T11:42:40,143 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 2026-02-10T11:42:40,146 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3 2026-02-10T11:42:40,147 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 2026-02-10T11:42:40,150 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9 2026-02-10T11:42:40,151 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 2026-02-10T11:42:40,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6 2026-02-10T11:42:40,156 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 2026-02-10T11:42:40,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12 2026-02-10T11:42:40,161 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 2026-02-10T11:42:40,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1 2026-02-10T11:42:40,165 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 2026-02-10T11:42:40,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7 2026-02-10T11:42:40,169 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 2026-02-10T11:42:40,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8 2026-02-10T11:42:40,172 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 2026-02-10T11:42:40,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1 2026-02-10T11:42:40,176 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 2026-02-10T11:42:40,181 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11 2026-02-10T11:42:40,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of 2026-02-10T11:42:40,184 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 2026-02-10T11:42:40,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2 2026-02-10T11:42:40,188 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 2026-02-10T11:42:40,191 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co 2026-02-10T11:42:40,193 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 2026-02-10T11:42:40,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c 2026-02-10T11:42:40,197 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 2026-02-10T11:42:40,200 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene 2026-02-10T11:42:40,201 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 2026-02-10T11:42:40,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn 2026-02-10T11:42:40,206 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 2026-02-10T11:42:40,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so 2026-02-10T11:42:40,210 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 2026-02-10T11:42:40,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl 2026-02-10T11:42:40,214 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 2026-02-10T11:42:40,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno 2026-02-10T11:42:40,218 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 2026-02-10T11:42:40,220 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h 2026-02-10T11:42:40,221 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 2026-02-10T11:42:40,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch 2026-02-10T11:42:40,224 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 2026-02-10T11:42:40,227 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane 2026-02-10T11:42:40,228 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 2026-02-10T11:42:40,230 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo 2026-02-10T11:42:40,231 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 2026-02-10T11:42:40,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh 2026-02-10T11:42:40,235 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 2026-02-10T11:42:40,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6 2026-02-10T11:42:40,240 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 2026-02-10T11:42:40,243 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2 2026-02-10T11:42:40,244 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 2026-02-10T11:42:40,247 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde 2026-02-10T11:42:40,248 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 2026-02-10T11:42:40,251 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6 2026-02-10T11:42:40,252 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 2026-02-10T11:42:40,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs 2026-02-10T11:42:40,255 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 2026-02-10T11:42:40,258 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic 2026-02-10T11:42:40,259 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 2026-02-10T11:42:40,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf 2026-02-10T11:42:40,263 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 2026-02-10T11:42:40,266 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3 2026-02-10T11:42:40,267 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 2026-02-10T11:42:40,270 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc 2026-02-10T11:42:40,271 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 2026-02-10T11:42:40,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo 2026-02-10T11:42:40,276 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 2026-02-10T11:42:40,278 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f 2026-02-10T11:42:40,279 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 2026-02-10T11:42:40,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl 2026-02-10T11:42:40,283 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 2026-02-10T11:42:40,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6 2026-02-10T11:42:40,287 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 2026-02-10T11:42:40,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2 2026-02-10T11:42:40,291 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 2026-02-10T11:42:40,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4 2026-02-10T11:42:40,295 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 2026-02-10T11:42:40,298 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o 2026-02-10T11:42:40,299 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 2026-02-10T11:42:40,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3 2026-02-10T11:42:40,303 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 2026-02-10T11:42:40,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2 2026-02-10T11:42:40,306 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 2026-02-10T11:42:40,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs 2026-02-10T11:42:40,310 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 2026-02-10T11:42:40,313 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4 2026-02-10T11:42:40,315 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 2026-02-10T11:42:40,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4 2026-02-10T11:42:40,318 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 2026-02-10T11:42:40,320 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco 2026-02-10T11:42:40,321 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 2026-02-10T11:42:40,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc 2026-02-10T11:42:40,325 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 2026-02-10T11:42:40,328 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3 2026-02-10T11:42:40,329 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 2026-02-10T11:42:40,332 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene 2026-02-10T11:42:40,333 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 2026-02-10T11:42:40,335 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o 2026-02-10T11:42:40,336 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 2026-02-10T11:42:40,339 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne 2026-02-10T11:42:40,341 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 2026-02-10T11:42:40,343 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene 2026-02-10T11:42:40,344 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 2026-02-10T11:42:40,347 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi 2026-02-10T11:42:40,348 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 2026-02-10T11:42:40,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2 2026-02-10T11:42:40,352 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 2026-02-10T11:42:40,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co 2026-02-10T11:42:40,356 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 2026-02-10T11:42:40,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3 2026-02-10T11:42:40,360 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 2026-02-10T11:42:40,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs 2026-02-10T11:42:40,363 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 2026-02-10T11:42:40,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof 2026-02-10T11:42:40,366 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 2026-02-10T11:42:40,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co 2026-02-10T11:42:40,370 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 2026-02-10T11:42:40,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol 2026-02-10T11:42:40,373 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 2026-02-10T11:42:40,375 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2 2026-02-10T11:42:40,376 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 2026-02-10T11:42:40,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2 2026-02-10T11:42:40,380 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 2026-02-10T11:42:40,382 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene 2026-02-10T11:42:40,383 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 2026-02-10T11:42:40,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4 2026-02-10T11:42:40,387 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 2026-02-10T11:42:40,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf 2026-02-10T11:42:40,390 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 2026-02-10T11:42:40,392 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al 2026-02-10T11:42:40,393 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 2026-02-10T11:42:40,396 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s 2026-02-10T11:42:40,397 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 2026-02-10T11:42:40,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf 2026-02-10T11:42:40,400 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 2026-02-10T11:42:40,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2 2026-02-10T11:42:40,404 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 2026-02-10T11:42:40,406 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh 2026-02-10T11:42:40,407 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 2026-02-10T11:42:40,409 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2 2026-02-10T11:42:40,411 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 2026-02-10T11:42:40,413 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2 2026-02-10T11:42:40,414 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 2026-02-10T11:42:40,416 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2 2026-02-10T11:42:40,417 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 2026-02-10T11:42:40,420 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n 2026-02-10T11:42:40,421 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 2026-02-10T11:42:40,424 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2 2026-02-10T11:42:40,425 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 2026-02-10T11:42:40,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c 2026-02-10T11:42:40,428 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 2026-02-10T11:42:40,431 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2 2026-02-10T11:42:40,432 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 2026-02-10T11:42:40,435 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2 2026-02-10T11:42:40,436 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 2026-02-10T11:42:40,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane 2026-02-10T11:42:40,440 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 2026-02-10T11:42:40,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2 2026-02-10T11:42:40,443 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 2026-02-10T11:42:40,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch 2026-02-10T11:42:40,447 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 2026-02-10T11:42:40,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f 2026-02-10T11:42:40,450 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 2026-02-10T11:42:40,453 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4 2026-02-10T11:42:40,454 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 2026-02-10T11:42:40,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno 2026-02-10T11:42:40,457 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 2026-02-10T11:42:40,459 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal 2026-02-10T11:42:40,460 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 2026-02-10T11:42:40,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane 2026-02-10T11:42:40,464 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 2026-02-10T11:42:40,466 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof 2026-02-10T11:42:40,467 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 2026-02-10T11:42:40,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v 2026-02-10T11:42:40,470 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 2026-02-10T11:42:40,473 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh 2026-02-10T11:42:40,474 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 2026-02-10T11:42:40,477 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p 2026-02-10T11:42:40,478 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 2026-02-10T11:42:40,481 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3 2026-02-10T11:42:40,483 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 2026-02-10T11:42:40,485 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn 2026-02-10T11:42:40,486 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 2026-02-10T11:42:40,488 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf 2026-02-10T11:42:40,489 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 2026-02-10T11:42:40,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo 2026-02-10T11:42:40,493 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 2026-02-10T11:42:40,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2 2026-02-10T11:42:40,497 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 2026-02-10T11:42:40,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2 2026-02-10T11:42:40,501 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 2026-02-10T11:42:40,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b 2026-02-10T11:42:40,504 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 2026-02-10T11:42:40,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3 2026-02-10T11:42:40,508 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 2026-02-10T11:42:40,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono 2026-02-10T11:42:40,511 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 2026-02-10T11:42:40,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco 2026-02-10T11:42:40,515 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 2026-02-10T11:42:40,518 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic 2026-02-10T11:42:40,519 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 2026-02-10T11:42:40,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3 2026-02-10T11:42:40,523 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 2026-02-10T11:42:40,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn 2026-02-10T11:42:40,527 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 2026-02-10T11:42:40,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn 2026-02-10T11:42:40,531 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 2026-02-10T11:42:40,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof 2026-02-10T11:42:40,535 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 2026-02-10T11:42:40,538 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh 2026-02-10T11:42:40,539 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 2026-02-10T11:42:40,541 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn 2026-02-10T11:42:40,542 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 2026-02-10T11:42:40,545 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf 2026-02-10T11:42:40,546 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 2026-02-10T11:42:40,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4 2026-02-10T11:42:40,550 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 2026-02-10T11:42:40,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2 2026-02-10T11:42:40,553 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 2026-02-10T11:42:40,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o 2026-02-10T11:42:40,557 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 2026-02-10T11:42:40,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2 2026-02-10T11:42:40,560 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 2026-02-10T11:42:40,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono 2026-02-10T11:42:40,564 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 2026-02-10T11:42:40,567 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif 2026-02-10T11:42:40,568 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 2026-02-10T11:42:40,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol 2026-02-10T11:42:40,571 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 2026-02-10T11:42:40,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s 2026-02-10T11:42:40,575 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 2026-02-10T11:42:40,578 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2 2026-02-10T11:42:40,579 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 2026-02-10T11:42:40,583 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf 2026-02-10T11:42:40,584 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 2026-02-10T11:42:40,588 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl 2026-02-10T11:42:40,589 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 2026-02-10T11:42:40,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f 2026-02-10T11:42:40,594 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 2026-02-10T11:42:40,598 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio 2026-02-10T11:42:40,599 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 2026-02-10T11:42:40,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3 2026-02-10T11:42:40,604 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 2026-02-10T11:42:40,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn 2026-02-10T11:42:40,608 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 2026-02-10T11:42:40,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl 2026-02-10T11:42:40,613 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 2026-02-10T11:42:40,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo 2026-02-10T11:42:40,618 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 2026-02-10T11:42:40,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o 2026-02-10T11:42:40,622 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 2026-02-10T11:42:40,626 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f 2026-02-10T11:42:40,627 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 2026-02-10T11:42:40,630 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2 2026-02-10T11:42:40,631 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 2026-02-10T11:42:40,635 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f 2026-02-10T11:42:40,636 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 2026-02-10T11:42:40,639 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch 2026-02-10T11:42:40,641 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 2026-02-10T11:42:40,644 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn 2026-02-10T11:42:40,645 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 2026-02-10T11:42:40,648 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4 2026-02-10T11:42:40,649 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 2026-02-10T11:42:40,652 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh 2026-02-10T11:42:40,653 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 2026-02-10T11:42:40,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo 2026-02-10T11:42:40,658 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 2026-02-10T11:42:40,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2 2026-02-10T11:42:40,662 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 2026-02-10T11:42:40,665 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o 2026-02-10T11:42:40,666 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 2026-02-10T11:42:40,669 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no 2026-02-10T11:42:40,670 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 2026-02-10T11:42:40,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2 2026-02-10T11:42:40,675 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 2026-02-10T11:42:40,678 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o 2026-02-10T11:42:40,680 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 2026-02-10T11:42:40,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3 2026-02-10T11:42:40,684 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 2026-02-10T11:42:40,687 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh 2026-02-10T11:42:40,689 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 2026-02-10T11:42:40,692 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh 2026-02-10T11:42:40,693 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 2026-02-10T11:42:40,696 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo 2026-02-10T11:42:40,698 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 2026-02-10T11:42:40,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh 2026-02-10T11:42:40,702 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 2026-02-10T11:42:40,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf 2026-02-10T11:42:40,706 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 2026-02-10T11:42:40,710 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip 2026-02-10T11:42:40,711 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 2026-02-10T11:42:40,713 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing 2026-02-10T11:42:40,714 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 2026-02-10T11:42:40,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2 2026-02-10T11:42:40,718 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 2026-02-10T11:42:40,721 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3 2026-02-10T11:42:40,722 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 2026-02-10T11:42:40,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh 2026-02-10T11:42:40,725 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 2026-02-10T11:42:40,728 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh 2026-02-10T11:42:40,730 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 2026-02-10T11:42:40,733 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be 2026-02-10T11:42:40,734 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 2026-02-10T11:42:40,736 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2 2026-02-10T11:42:40,737 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 2026-02-10T11:42:40,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si 2026-02-10T11:42:40,742 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 2026-02-10T11:42:40,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl 2026-02-10T11:42:40,745 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 2026-02-10T11:42:40,748 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3 2026-02-10T11:42:40,749 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 2026-02-10T11:42:40,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2 2026-02-10T11:42:40,752 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 2026-02-10T11:42:40,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2 2026-02-10T11:42:40,756 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 2026-02-10T11:42:40,759 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn 2026-02-10T11:42:40,760 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 2026-02-10T11:42:40,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih 2026-02-10T11:42:40,763 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 2026-02-10T11:42:40,766 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h 2026-02-10T11:42:40,767 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 2026-02-10T11:42:40,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh 2026-02-10T11:42:40,770 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 2026-02-10T11:42:40,774 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27 2026-02-10T11:42:40,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2 2026-02-10T11:42:40,777 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 2026-02-10T11:42:40,779 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS 2026-02-10T11:42:40,781 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 2026-02-10T11:42:40,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1 2026-02-10T11:42:40,784 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 2026-02-10T11:42:40,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti 2026-02-10T11:42:40,788 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 2026-02-10T11:42:40,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180 2026-02-10T11:42:40,792 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 2026-02-10T11:42:40,794 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0 2026-02-10T11:42:40,795 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 2026-02-10T11:42:40,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2 2026-02-10T11:42:40,799 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 2026-02-10T11:42:40,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn 2026-02-10T11:42:40,805 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 2026-02-10T11:42:40,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis 2026-02-10T11:42:40,823 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 2026-02-10T11:42:40,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl 2026-02-10T11:42:40,833 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 2026-02-10T11:42:40,836 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS 2026-02-10T11:42:40,839 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 2026-02-10T11:42:40,842 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis 2026-02-10T11:42:40,845 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 2026-02-10T11:42:40,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60 2026-02-10T11:42:40,850 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 2026-02-10T11:42:40,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC 2026-02-10T11:42:40,856 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 2026-02-10T11:42:40,859 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl 2026-02-10T11:42:40,860 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 2026-02-10T11:42:40,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st 2026-02-10T11:42:40,866 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 2026-02-10T11:42:40,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS 2026-02-10T11:42:40,872 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 2026-02-10T11:42:40,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1 2026-02-10T11:42:40,879 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 2026-02-10T11:42:40,882 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl 2026-02-10T11:42:40,883 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 2026-02-10T11:42:40,886 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn 2026-02-10T11:42:40,887 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 2026-02-10T11:42:40,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0 2026-02-10T11:42:40,891 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 2026-02-10T11:42:40,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1 2026-02-10T11:42:40,896 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 2026-02-10T11:42:40,900 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti 2026-02-10T11:42:40,901 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 2026-02-10T11:42:40,904 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120 2026-02-10T11:42:40,906 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 2026-02-10T11:42:40,909 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2 2026-02-10T11:42:40,910 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 2026-02-10T11:42:40,913 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl 2026-02-10T11:42:40,914 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 2026-02-10T11:42:40,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2 2026-02-10T11:42:40,920 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 2026-02-10T11:42:40,924 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis 2026-02-10T11:42:40,927 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 2026-02-10T11:42:40,931 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans 2026-02-10T11:42:40,932 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 2026-02-10T11:42:40,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans 2026-02-10T11:42:40,936 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 2026-02-10T11:42:40,940 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1 2026-02-10T11:42:40,942 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 2026-02-10T11:42:40,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS 2026-02-10T11:42:40,947 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 2026-02-10T11:42:40,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2 2026-02-10T11:42:40,952 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 2026-02-10T11:42:40,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1 2026-02-10T11:42:40,957 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 2026-02-10T11:42:40,960 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2 2026-02-10T11:42:40,961 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 2026-02-10T11:42:40,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl 2026-02-10T11:42:40,968 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 2026-02-10T11:42:40,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st 2026-02-10T11:42:40,972 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 2026-02-10T11:42:40,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans 2026-02-10T11:42:40,976 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 2026-02-10T11:42:40,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st 2026-02-10T11:42:40,980 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 2026-02-10T11:42:40,984 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180 2026-02-10T11:42:40,986 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 2026-02-10T11:42:40,988 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC 2026-02-10T11:42:40,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh 2026-02-10T11:42:40,992 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 2026-02-10T11:42:40,996 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3 2026-02-10T11:42:40,997 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 2026-02-10T11:42:40,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut 2026-02-10T11:42:41,001 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 2026-02-10T11:42:41,005 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3 2026-02-10T11:42:41,006 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 2026-02-10T11:42:41,009 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch 2026-02-10T11:42:41,010 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 2026-02-10T11:42:41,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3 2026-02-10T11:42:41,015 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 2026-02-10T11:42:41,019 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz 2026-02-10T11:42:41,020 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 2026-02-10T11:42:41,023 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3 2026-02-10T11:42:41,025 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 2026-02-10T11:42:41,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3 2026-02-10T11:42:41,029 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 2026-02-10T11:42:41,032 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3 2026-02-10T11:42:41,033 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 2026-02-10T11:42:41,037 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F 2026-02-10T11:42:41,039 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 2026-02-10T11:42:41,043 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3 2026-02-10T11:42:41,044 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 2026-02-10T11:42:41,048 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2 2026-02-10T11:42:41,049 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 2026-02-10T11:42:41,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3 2026-02-10T11:42:41,053 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 2026-02-10T11:42:41,055 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2 2026-02-10T11:42:41,056 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 2026-02-10T11:42:41,059 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2 2026-02-10T11:42:41,060 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 2026-02-10T11:42:41,063 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl 2026-02-10T11:42:41,064 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 2026-02-10T11:42:41,066 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3 2026-02-10T11:42:41,067 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 2026-02-10T11:42:41,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3 2026-02-10T11:42:41,071 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 2026-02-10T11:42:41,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3 2026-02-10T11:42:41,077 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 2026-02-10T11:42:41,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H 2026-02-10T11:42:41,084 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 2026-02-10T11:42:41,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21 2026-02-10T11:42:41,090 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4 2026-02-10T11:42:41,092 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 2026-02-10T11:42:41,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2 2026-02-10T11:42:41,099 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 2026-02-10T11:42:41,102 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6 2026-02-10T11:42:41,103 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 2026-02-10T11:42:41,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e 2026-02-10T11:42:41,107 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 2026-02-10T11:42:41,111 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me 2026-02-10T11:42:41,112 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 2026-02-10T11:42:41,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5 2026-02-10T11:42:41,116 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 2026-02-10T11:42:41,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2 2026-02-10T11:42:41,119 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 2026-02-10T11:42:41,122 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1 2026-02-10T11:42:41,123 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 2026-02-10T11:42:41,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2 2026-02-10T11:42:41,128 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 2026-02-10T11:42:41,132 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3 2026-02-10T11:42:41,135 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 2026-02-10T11:42:41,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1 2026-02-10T11:42:41,141 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 2026-02-10T11:42:41,145 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e 2026-02-10T11:42:41,147 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 2026-02-10T11:42:41,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr 2026-02-10T11:42:41,152 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 2026-02-10T11:42:41,154 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3 2026-02-10T11:42:41,156 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 2026-02-10T11:42:41,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1 2026-02-10T11:42:41,163 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 2026-02-10T11:42:41,167 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p 2026-02-10T11:42:41,169 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 2026-02-10T11:42:41,173 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3 2026-02-10T11:42:41,175 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 2026-02-10T11:42:41,179 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e 2026-02-10T11:42:41,180 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 2026-02-10T11:42:41,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e 2026-02-10T11:42:41,183 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 2026-02-10T11:42:41,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1 2026-02-10T11:42:41,187 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 2026-02-10T11:42:41,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene 2026-02-10T11:42:41,192 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 2026-02-10T11:42:41,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1 2026-02-10T11:42:41,197 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 2026-02-10T11:42:41,202 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1 2026-02-10T11:42:41,203 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 2026-02-10T11:42:41,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2 2026-02-10T11:42:41,208 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 2026-02-10T11:42:41,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3 2026-02-10T11:42:41,214 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 2026-02-10T11:42:41,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int 2026-02-10T11:42:41,220 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 2026-02-10T11:42:41,223 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1 2026-02-10T11:42:41,224 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 2026-02-10T11:42:41,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e 2026-02-10T11:42:41,231 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 2026-02-10T11:42:41,236 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2 2026-02-10T11:42:41,237 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 2026-02-10T11:42:41,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2 2026-02-10T11:42:41,241 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 2026-02-10T11:42:41,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1 2026-02-10T11:42:41,246 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 2026-02-10T11:42:41,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e 2026-02-10T11:42:41,253 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 2026-02-10T11:42:41,256 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3 2026-02-10T11:42:41,257 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 2026-02-10T11:42:41,260 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1 2026-02-10T11:42:41,261 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 2026-02-10T11:42:41,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2 2026-02-10T11:42:41,265 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 2026-02-10T11:42:41,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p 2026-02-10T11:42:41,269 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 2026-02-10T11:42:41,274 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e 2026-02-10T11:42:41,275 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 2026-02-10T11:42:41,280 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e 2026-02-10T11:42:41,283 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 2026-02-10T11:42:41,288 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e 2026-02-10T11:42:41,290 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 2026-02-10T11:42:41,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3 2026-02-10T11:42:41,296 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 2026-02-10T11:42:41,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e 2026-02-10T11:42:41,300 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 2026-02-10T11:42:41,303 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15 2026-02-10T11:42:41,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b 2026-02-10T11:42:41,308 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 2026-02-10T11:42:41,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c 2026-02-10T11:42:41,314 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 2026-02-10T11:42:41,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a 2026-02-10T11:42:41,324 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 2026-02-10T11:42:41,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b 2026-02-10T11:42:41,330 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 2026-02-10T11:42:41,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a 2026-02-10T11:42:41,335 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 2026-02-10T11:42:41,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c 2026-02-10T11:42:41,341 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 2026-02-10T11:42:41,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a 2026-02-10T11:42:41,346 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 2026-02-10T11:42:41,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b 2026-02-10T11:42:41,556 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 2026-02-10T11:42:41,562 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a 2026-02-10T11:42:41,564 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 2026-02-10T11:42:41,572 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b 2026-02-10T11:42:41,575 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 2026-02-10T11:42:41,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b 2026-02-10T11:42:41,589 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 2026-02-10T11:42:41,602 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b 2026-02-10T11:42:41,606 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 2026-02-10T11:42:41,618 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a 2026-02-10T11:42:41,622 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 2026-02-10T11:42:41,632 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c 2026-02-10T11:42:41,635 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 2026-02-10T11:42:41,645 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a 2026-02-10T11:42:41,648 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 2026-02-10T11:42:41,659 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a 2026-02-10T11:42:41,662 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 2026-02-10T11:42:41,674 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d 2026-02-10T11:42:41,678 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 2026-02-10T11:42:41,688 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b 2026-02-10T11:42:41,690 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 2026-02-10T11:42:41,693 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a 2026-02-10T11:42:41,694 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 2026-02-10T11:42:41,697 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a 2026-02-10T11:42:41,698 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 2026-02-10T11:42:41,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b 2026-02-10T11:42:41,703 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 2026-02-10T11:42:41,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d 2026-02-10T11:42:41,708 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 2026-02-10T11:42:41,711 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a 2026-02-10T11:42:41,713 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 2026-02-10T11:42:41,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b 2026-02-10T11:42:41,718 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 2026-02-10T11:42:41,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b 2026-02-10T11:42:41,724 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 2026-02-10T11:42:41,729 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10 2026-02-10T11:42:41,732 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+ 2026-02-10T11:42:41,734 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+ 2026-02-10T11:42:41,738 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+ 2026-02-10T11:42:41,740 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+ 2026-02-10T11:42:41,744 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+ 2026-02-10T11:42:41,746 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+ 2026-02-10T11:42:41,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6 2026-02-10T11:42:41,753 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 2026-02-10T11:42:41,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4 2026-02-10T11:42:41,759 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 2026-02-10T11:42:41,763 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+ 2026-02-10T11:42:41,765 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+ 2026-02-10T11:42:41,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+ 2026-02-10T11:42:41,771 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+ 2026-02-10T11:42:41,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+ 2026-02-10T11:42:41,778 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+ 2026-02-10T11:42:41,782 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o 2026-02-10T11:42:41,785 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 2026-02-10T11:42:41,789 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg 2026-02-10T11:42:41,791 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 2026-02-10T11:42:41,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+ 2026-02-10T11:42:41,798 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+ 2026-02-10T11:42:41,802 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3 2026-02-10T11:42:41,804 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 2026-02-10T11:42:41,809 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4 2026-02-10T11:42:41,811 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 2026-02-10T11:42:41,815 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s 2026-02-10T11:42:41,817 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 2026-02-10T11:42:41,819 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3 2026-02-10T11:42:41,821 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 2026-02-10T11:42:41,825 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+ 2026-02-10T11:42:41,826 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+ 2026-02-10T11:42:41,830 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+ 2026-02-10T11:42:41,832 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+ 2026-02-10T11:42:41,834 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2 2026-02-10T11:42:41,836 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 2026-02-10T11:42:41,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be 2026-02-10T11:42:41,840 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 2026-02-10T11:42:41,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+ 2026-02-10T11:42:41,845 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+ 2026-02-10T11:42:41,849 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26 2026-02-10T11:42:41,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly 2026-02-10T11:42:41,852 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 2026-02-10T11:42:41,855 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys 2026-02-10T11:42:41,857 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 2026-02-10T11:42:41,860 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp 2026-02-10T11:42:41,861 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 2026-02-10T11:42:41,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6 2026-02-10T11:42:41,865 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 2026-02-10T11:42:41,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp 2026-02-10T11:42:41,870 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 2026-02-10T11:42:41,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6 2026-02-10T11:42:41,875 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 2026-02-10T11:42:41,878 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C 2026-02-10T11:42:41,880 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 2026-02-10T11:42:41,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T 2026-02-10T11:42:41,884 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 2026-02-10T11:42:41,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol 2026-02-10T11:42:41,889 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 2026-02-10T11:42:41,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap 2026-02-10T11:42:41,893 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 2026-02-10T11:42:41,897 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p 2026-02-10T11:42:41,898 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 2026-02-10T11:42:41,901 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2 2026-02-10T11:42:41,902 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 2026-02-10T11:42:41,905 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2 2026-02-10T11:42:41,907 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 2026-02-10T11:42:41,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p 2026-02-10T11:42:41,912 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 2026-02-10T11:42:41,915 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op 2026-02-10T11:42:41,916 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 2026-02-10T11:42:41,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol 2026-02-10T11:42:41,920 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 2026-02-10T11:42:41,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp 2026-02-10T11:42:41,925 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 2026-02-10T11:42:41,928 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6 2026-02-10T11:42:41,930 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 2026-02-10T11:42:41,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4 2026-02-10T11:42:41,934 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 2026-02-10T11:42:41,937 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp 2026-02-10T11:42:41,938 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 2026-02-10T11:42:41,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass 2026-02-10T11:42:41,943 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 2026-02-10T11:42:41,946 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp 2026-02-10T11:42:41,947 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 2026-02-10T11:42:41,950 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p 2026-02-10T11:42:41,952 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 2026-02-10T11:42:41,954 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3 2026-02-10T11:42:41,956 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 2026-02-10T11:42:41,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G 2026-02-10T11:42:41,960 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 2026-02-10T11:42:41,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p 2026-02-10T11:42:41,965 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 2026-02-10T11:42:41,968 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p 2026-02-10T11:42:41,969 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 2026-02-10T11:42:41,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp 2026-02-10T11:42:41,974 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 2026-02-10T11:42:41,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4 2026-02-10T11:42:41,978 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 2026-02-10T11:42:41,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A 2026-02-10T11:42:41,983 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 2026-02-10T11:42:41,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp 2026-02-10T11:42:41,987 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 2026-02-10T11:42:41,991 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp 2026-02-10T11:42:41,992 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 2026-02-10T11:42:41,995 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2 2026-02-10T11:42:41,996 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 2026-02-10T11:42:41,999 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p 2026-02-10T11:42:42,000 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 2026-02-10T11:42:42,003 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s 2026-02-10T11:42:42,004 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 2026-02-10T11:42:42,007 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp 2026-02-10T11:42:42,009 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 2026-02-10T11:42:42,011 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh 2026-02-10T11:42:42,013 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 2026-02-10T11:42:42,015 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl 2026-02-10T11:42:42,017 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 2026-02-10T11:42:42,020 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3 2026-02-10T11:42:42,021 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 2026-02-10T11:42:42,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp 2026-02-10T11:42:42,025 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 2026-02-10T11:42:42,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p 2026-02-10T11:42:42,030 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 2026-02-10T11:42:42,033 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p 2026-02-10T11:42:42,035 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 2026-02-10T11:42:42,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o 2026-02-10T11:42:42,040 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 2026-02-10T11:42:42,047 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp 2026-02-10T11:42:42,049 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 2026-02-10T11:42:42,052 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol 2026-02-10T11:42:42,054 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 2026-02-10T11:42:42,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s 2026-02-10T11:42:42,059 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 2026-02-10T11:42:42,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp 2026-02-10T11:42:42,066 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 2026-02-10T11:42:42,070 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p 2026-02-10T11:42:42,072 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 2026-02-10T11:42:42,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8 2026-02-10T11:42:42,077 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 2026-02-10T11:42:42,080 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p 2026-02-10T11:42:42,082 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 2026-02-10T11:42:42,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p 2026-02-10T11:42:42,090 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 2026-02-10T11:42:42,095 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp 2026-02-10T11:42:42,096 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 2026-02-10T11:42:42,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76 2026-02-10T11:42:42,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17 2026-02-10T11:42:42,105 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 2026-02-10T11:42:42,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2 2026-02-10T11:42:42,110 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 2026-02-10T11:42:42,114 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co 2026-02-10T11:42:42,115 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 2026-02-10T11:42:42,118 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn 2026-02-10T11:42:42,119 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 2026-02-10T11:42:42,123 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl- 2026-02-10T11:42:42,124 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- 2026-02-10T11:42:42,127 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05 2026-02-10T11:42:42,129 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 2026-02-10T11:42:42,131 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts 2026-02-10T11:42:42,132 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 2026-02-10T11:42:42,135 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f 2026-02-10T11:42:42,136 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 2026-02-10T11:42:42,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl 2026-02-10T11:42:42,141 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 2026-02-10T11:42:42,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4 2026-02-10T11:42:42,146 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 2026-02-10T11:42:42,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh 2026-02-10T11:42:42,150 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 2026-02-10T11:42:42,152 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3 2026-02-10T11:42:42,154 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 2026-02-10T11:42:42,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4 2026-02-10T11:42:42,158 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 2026-02-10T11:42:42,161 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14 2026-02-10T11:42:42,162 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 2026-02-10T11:42:42,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts 2026-02-10T11:42:42,167 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 2026-02-10T11:42:42,170 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS 2026-02-10T11:42:42,171 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 2026-02-10T11:42:42,174 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1 2026-02-10T11:42:42,175 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 2026-02-10T11:42:42,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20 2026-02-10T11:42:42,180 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 2026-02-10T11:42:42,182 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc 2026-02-10T11:42:42,184 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 2026-02-10T11:42:42,186 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1 2026-02-10T11:42:42,187 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 2026-02-10T11:42:42,190 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o 2026-02-10T11:42:42,191 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 2026-02-10T11:42:42,194 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07 2026-02-10T11:42:42,195 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 2026-02-10T11:42:42,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp 2026-02-10T11:42:42,200 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 2026-02-10T11:42:42,204 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2 2026-02-10T11:42:42,205 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 2026-02-10T11:42:42,208 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5 2026-02-10T11:42:42,209 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 2026-02-10T11:42:42,212 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2 2026-02-10T11:42:42,213 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 2026-02-10T11:42:42,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2 2026-02-10T11:42:42,218 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 2026-02-10T11:42:42,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf 2026-02-10T11:42:42,222 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 2026-02-10T11:42:42,224 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7 2026-02-10T11:42:42,225 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 2026-02-10T11:42:42,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5 2026-02-10T11:42:42,229 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 2026-02-10T11:42:42,232 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18 2026-02-10T11:42:42,233 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 2026-02-10T11:42:42,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts 2026-02-10T11:42:42,236 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 2026-02-10T11:42:42,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH 2026-02-10T11:42:42,241 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 2026-02-10T11:42:42,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16 2026-02-10T11:42:42,246 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 2026-02-10T11:42:42,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10 2026-02-10T11:42:42,250 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 2026-02-10T11:42:42,253 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19 2026-02-10T11:42:42,254 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 2026-02-10T11:42:42,257 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts 2026-02-10T11:42:42,258 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 2026-02-10T11:42:42,261 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04 2026-02-10T11:42:42,262 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 2026-02-10T11:42:42,264 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2 2026-02-10T11:42:42,265 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 2026-02-10T11:42:42,268 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2 2026-02-10T11:42:42,269 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 2026-02-10T11:42:42,271 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02 2026-02-10T11:42:42,273 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 2026-02-10T11:42:42,275 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh- 2026-02-10T11:42:42,276 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- 2026-02-10T11:42:42,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8 2026-02-10T11:42:42,280 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 2026-02-10T11:42:42,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts 2026-02-10T11:42:42,283 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 2026-02-10T11:42:42,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22 2026-02-10T11:42:42,287 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 2026-02-10T11:42:42,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f- 2026-02-10T11:42:42,291 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- 2026-02-10T11:42:42,294 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S 2026-02-10T11:42:42,295 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 2026-02-10T11:42:42,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts 2026-02-10T11:42:42,299 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 2026-02-10T11:42:42,307 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts 2026-02-10T11:42:42,308 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 2026-02-10T11:42:42,311 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts 2026-02-10T11:42:42,312 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 2026-02-10T11:42:42,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp 2026-02-10T11:42:42,318 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 2026-02-10T11:42:42,324 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco 2026-02-10T11:42:42,325 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 2026-02-10T11:42:42,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15 2026-02-10T11:42:42,330 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 2026-02-10T11:42:42,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2 2026-02-10T11:42:42,334 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 2026-02-10T11:42:42,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06 2026-02-10T11:42:42,342 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 2026-02-10T11:42:42,344 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13 2026-02-10T11:42:42,345 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 2026-02-10T11:42:42,349 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11 2026-02-10T11:42:42,350 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 2026-02-10T11:42:42,352 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08 2026-02-10T11:42:42,353 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 2026-02-10T11:42:42,356 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf 2026-02-10T11:42:42,358 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 2026-02-10T11:42:42,361 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts 2026-02-10T11:42:42,362 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 2026-02-10T11:42:42,365 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O 2026-02-10T11:42:42,366 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 2026-02-10T11:42:42,369 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:42,370 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl 2026-02-10T11:42:42,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H 2026-02-10T11:42:42,373 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 2026-02-10T11:42:42,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl 2026-02-10T11:42:42,377 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 2026-02-10T11:42:42,379 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts 2026-02-10T11:42:42,380 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 2026-02-10T11:42:42,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f 2026-02-10T11:42:42,384 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 2026-02-10T11:42:42,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12 2026-02-10T11:42:42,387 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 2026-02-10T11:42:42,390 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots 2026-02-10T11:42:42,391 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 2026-02-10T11:42:42,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts 2026-02-10T11:42:42,394 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 2026-02-10T11:42:42,397 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01 2026-02-10T11:42:42,398 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 2026-02-10T11:42:42,400 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2 2026-02-10T11:42:42,401 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 2026-02-10T11:42:42,404 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3 2026-02-10T11:42:42,405 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 2026-02-10T11:42:42,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O 2026-02-10T11:42:42,408 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 2026-02-10T11:42:42,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh 2026-02-10T11:42:42,412 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 2026-02-10T11:42:42,414 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2 2026-02-10T11:42:42,415 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 2026-02-10T11:42:42,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH 2026-02-10T11:42:42,419 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 2026-02-10T11:42:42,421 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts 2026-02-10T11:42:42,422 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 2026-02-10T11:42:42,425 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6 2026-02-10T11:42:42,426 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 2026-02-10T11:42:42,429 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts 2026-02-10T11:42:42,430 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 2026-02-10T11:42:42,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03 2026-02-10T11:42:42,433 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 2026-02-10T11:42:42,436 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3 2026-02-10T11:42:42,437 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 2026-02-10T11:42:42,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts 2026-02-10T11:42:42,440 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 2026-02-10T11:42:42,443 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09 2026-02-10T11:42:42,444 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 2026-02-10T11:42:42,447 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h 2026-02-10T11:42:42,448 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 2026-02-10T11:42:42,451 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts 2026-02-10T11:42:42,452 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 2026-02-10T11:42:42,455 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21 2026-02-10T11:42:42,456 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 2026-02-10T11:42:42,461 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA 2026-02-10T11:42:42,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n 2026-02-10T11:42:42,464 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 2026-02-10T11:42:42,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n 2026-02-10T11:42:42,468 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 2026-02-10T11:42:42,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23 2026-02-10T11:42:42,472 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 2026-02-10T11:42:42,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c 2026-02-10T11:42:42,476 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 2026-02-10T11:42:42,478 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25 2026-02-10T11:42:42,480 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 2026-02-10T11:42:42,482 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl 2026-02-10T11:42:42,483 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 2026-02-10T11:42:42,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n 2026-02-10T11:42:42,487 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 2026-02-10T11:42:42,489 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18 2026-02-10T11:42:42,490 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 2026-02-10T11:42:42,494 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl- 2026-02-10T11:42:42,495 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- 2026-02-10T11:42:42,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24 2026-02-10T11:42:42,500 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 2026-02-10T11:42:42,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20 2026-02-10T11:42:42,505 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 2026-02-10T11:42:42,509 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n 2026-02-10T11:42:42,511 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 2026-02-10T11:42:42,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n 2026-02-10T11:42:42,518 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 2026-02-10T11:42:42,524 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n 2026-02-10T11:42:42,527 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 2026-02-10T11:42:42,532 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n 2026-02-10T11:42:42,534 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 2026-02-10T11:42:42,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n 2026-02-10T11:42:42,539 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 2026-02-10T11:42:42,542 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si- 2026-02-10T11:42:42,544 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- 2026-02-10T11:42:42,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n 2026-02-10T11:42:42,549 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 2026-02-10T11:42:42,553 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p- 2026-02-10T11:42:42,554 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- 2026-02-10T11:42:42,558 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n 2026-02-10T11:42:42,560 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 2026-02-10T11:42:42,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n 2026-02-10T11:42:42,566 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 2026-02-10T11:42:42,569 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n 2026-02-10T11:42:42,571 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 2026-02-10T11:42:42,574 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22 2026-02-10T11:42:42,576 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 2026-02-10T11:42:42,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f 2026-02-10T11:42:42,581 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 2026-02-10T11:42:42,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8 2026-02-10T11:42:42,586 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 2026-02-10T11:42:42,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14 2026-02-10T11:42:42,591 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 2026-02-10T11:42:42,594 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17 2026-02-10T11:42:42,596 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 2026-02-10T11:42:42,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15 2026-02-10T11:42:42,601 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 2026-02-10T11:42:42,605 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9 2026-02-10T11:42:42,607 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 2026-02-10T11:42:42,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si 2026-02-10T11:42:42,613 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 2026-02-10T11:42:42,616 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21 2026-02-10T11:42:42,617 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 2026-02-10T11:42:42,621 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13 2026-02-10T11:42:42,622 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 2026-02-10T11:42:42,625 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12 2026-02-10T11:42:42,626 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 2026-02-10T11:42:42,629 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f- 2026-02-10T11:42:42,630 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- 2026-02-10T11:42:42,633 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n 2026-02-10T11:42:42,634 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 2026-02-10T11:42:42,637 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n 2026-02-10T11:42:42,638 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 2026-02-10T11:42:42,641 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n 2026-02-10T11:42:42,643 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 2026-02-10T11:42:42,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11 2026-02-10T11:42:42,647 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 2026-02-10T11:42:42,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n 2026-02-10T11:42:42,652 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 2026-02-10T11:42:42,656 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16 2026-02-10T11:42:42,658 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 2026-02-10T11:42:42,662 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o- 2026-02-10T11:42:42,664 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- 2026-02-10T11:42:42,667 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10 2026-02-10T11:42:42,670 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 2026-02-10T11:42:42,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o 2026-02-10T11:42:42,674 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 2026-02-10T11:42:42,677 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19 2026-02-10T11:42:42,678 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 2026-02-10T11:42:42,682 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s 2026-02-10T11:42:42,683 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 2026-02-10T11:42:42,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c- 2026-02-10T11:42:42,687 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- 2026-02-10T11:42:42,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s- 2026-02-10T11:42:42,691 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- 2026-02-10T11:42:42,694 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p 2026-02-10T11:42:42,695 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 2026-02-10T11:42:42,698 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n 2026-02-10T11:42:42,699 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 2026-02-10T11:42:42,701 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n 2026-02-10T11:42:42,702 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 2026-02-10T11:42:42,706 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF 2026-02-10T11:42:42,707 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8 2026-02-10T11:42:42,708 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 2026-02-10T11:42:42,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30 2026-02-10T11:42:42,713 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 2026-02-10T11:42:42,717 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43 2026-02-10T11:42:42,718 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 2026-02-10T11:42:42,722 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19 2026-02-10T11:42:42,723 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 2026-02-10T11:42:42,726 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33 2026-02-10T11:42:42,727 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 2026-02-10T11:42:42,730 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16 2026-02-10T11:42:42,731 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 2026-02-10T11:42:42,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9 2026-02-10T11:42:42,735 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 2026-02-10T11:42:42,737 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42 2026-02-10T11:42:42,739 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 2026-02-10T11:42:42,741 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41 2026-02-10T11:42:42,742 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 2026-02-10T11:42:42,747 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45 2026-02-10T11:42:42,748 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 2026-02-10T11:42:42,751 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22 2026-02-10T11:42:42,752 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 2026-02-10T11:42:42,755 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28 2026-02-10T11:42:42,756 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 2026-02-10T11:42:42,758 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36 2026-02-10T11:42:42,759 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 2026-02-10T11:42:42,762 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25 2026-02-10T11:42:42,763 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 2026-02-10T11:42:42,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12 2026-02-10T11:42:42,766 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 2026-02-10T11:42:42,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23 2026-02-10T11:42:42,770 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 2026-02-10T11:42:42,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48 2026-02-10T11:42:42,773 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 2026-02-10T11:42:42,776 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52 2026-02-10T11:42:42,777 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 2026-02-10T11:42:42,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49 2026-02-10T11:42:42,781 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 2026-02-10T11:42:42,783 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20 2026-02-10T11:42:42,784 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 2026-02-10T11:42:42,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4 2026-02-10T11:42:42,788 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 2026-02-10T11:42:42,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24 2026-02-10T11:42:42,792 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 2026-02-10T11:42:42,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40 2026-02-10T11:42:42,796 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 2026-02-10T11:42:42,799 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3 2026-02-10T11:42:42,800 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 2026-02-10T11:42:42,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47 2026-02-10T11:42:42,804 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 2026-02-10T11:42:42,806 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14 2026-02-10T11:42:42,807 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 2026-02-10T11:42:42,810 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51 2026-02-10T11:42:42,811 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 2026-02-10T11:42:42,813 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50 2026-02-10T11:42:42,814 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 2026-02-10T11:42:42,817 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2 2026-02-10T11:42:42,818 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 2026-02-10T11:42:42,821 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44 2026-02-10T11:42:42,822 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 2026-02-10T11:42:42,824 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7 2026-02-10T11:42:42,825 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 2026-02-10T11:42:42,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35 2026-02-10T11:42:42,829 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 2026-02-10T11:42:42,833 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32 2026-02-10T11:42:42,834 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 2026-02-10T11:42:42,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21 2026-02-10T11:42:42,840 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 2026-02-10T11:42:42,843 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37 2026-02-10T11:42:42,845 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 2026-02-10T11:42:42,848 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11 2026-02-10T11:42:42,849 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 2026-02-10T11:42:42,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5 2026-02-10T11:42:42,855 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 2026-02-10T11:42:42,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38 2026-02-10T11:42:42,860 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 2026-02-10T11:42:42,864 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1 2026-02-10T11:42:42,865 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 2026-02-10T11:42:42,870 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46 2026-02-10T11:42:42,871 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 2026-02-10T11:42:42,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29 2026-02-10T11:42:42,877 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 2026-02-10T11:42:42,879 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18 2026-02-10T11:42:42,880 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 2026-02-10T11:42:42,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17 2026-02-10T11:42:42,884 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 2026-02-10T11:42:42,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6 2026-02-10T11:42:42,888 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 2026-02-10T11:42:42,892 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26 2026-02-10T11:42:42,893 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 2026-02-10T11:42:42,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10 2026-02-10T11:42:42,896 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 2026-02-10T11:42:42,899 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39 2026-02-10T11:42:42,900 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 2026-02-10T11:42:42,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13 2026-02-10T11:42:42,903 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 2026-02-10T11:42:42,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34 2026-02-10T11:42:42,907 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 2026-02-10T11:42:42,910 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15 2026-02-10T11:42:42,911 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 2026-02-10T11:42:42,914 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27 2026-02-10T11:42:42,915 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 2026-02-10T11:42:42,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31 2026-02-10T11:42:42,920 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 2026-02-10T11:42:42,923 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13 2026-02-10T11:42:42,925 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6 2026-02-10T11:42:42,926 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 2026-02-10T11:42:42,929 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3 2026-02-10T11:42:42,930 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 2026-02-10T11:42:42,932 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4 2026-02-10T11:42:42,933 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 2026-02-10T11:42:42,935 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen 2026-02-10T11:42:42,936 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 2026-02-10T11:42:42,939 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2 2026-02-10T11:42:42,941 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 2026-02-10T11:42:42,944 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen 2026-02-10T11:42:42,945 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 2026-02-10T11:42:42,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35 2026-02-10T11:42:42,949 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 2026-02-10T11:42:42,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2 2026-02-10T11:42:42,953 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 2026-02-10T11:42:42,956 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2 2026-02-10T11:42:42,958 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 2026-02-10T11:42:42,961 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4 2026-02-10T11:42:42,962 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 2026-02-10T11:42:42,964 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6 2026-02-10T11:42:42,965 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 2026-02-10T11:42:42,967 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2 2026-02-10T11:42:42,968 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 2026-02-10T11:42:42,971 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb 2026-02-10T11:42:42,972 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 2026-02-10T11:42:42,975 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add 2026-02-10T11:42:42,976 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 2026-02-10T11:42:42,979 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1 2026-02-10T11:42:42,980 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 2026-02-10T11:42:42,982 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage 2026-02-10T11:42:42,984 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 2026-02-10T11:42:42,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add 2026-02-10T11:42:42,988 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 2026-02-10T11:42:42,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip 2026-02-10T11:42:42,991 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 2026-02-10T11:42:42,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36 2026-02-10T11:42:42,995 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 2026-02-10T11:42:42,998 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41 2026-02-10T11:42:42,999 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 2026-02-10T11:42:43,002 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne 2026-02-10T11:42:43,004 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 2026-02-10T11:42:43,006 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2 2026-02-10T11:42:43,007 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 2026-02-10T11:42:43,010 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8 2026-02-10T11:42:43,011 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 2026-02-10T11:42:43,014 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl 2026-02-10T11:42:43,015 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 2026-02-10T11:42:43,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35 2026-02-10T11:42:43,018 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 2026-02-10T11:42:43,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL 2026-02-10T11:42:43,022 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 2026-02-10T11:42:43,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1 2026-02-10T11:42:43,026 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 2026-02-10T11:42:43,030 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be 2026-02-10T11:42:43,032 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 2026-02-10T11:42:43,036 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36 2026-02-10T11:42:43,037 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 2026-02-10T11:42:43,040 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene 2026-02-10T11:42:43,041 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 2026-02-10T11:42:43,044 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4 2026-02-10T11:42:43,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25 2026-02-10T11:42:43,048 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 2026-02-10T11:42:43,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he 2026-02-10T11:42:43,052 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 2026-02-10T11:42:43,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0 2026-02-10T11:42:43,055 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 2026-02-10T11:42:43,058 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25 2026-02-10T11:42:43,059 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 2026-02-10T11:42:43,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5 2026-02-10T11:42:43,062 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 2026-02-10T11:42:43,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5 2026-02-10T11:42:43,065 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 2026-02-10T11:42:43,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75 2026-02-10T11:42:43,069 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 2026-02-10T11:42:43,072 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25 2026-02-10T11:42:43,073 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 2026-02-10T11:42:43,076 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0 2026-02-10T11:42:43,078 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 2026-02-10T11:42:43,081 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5 2026-02-10T11:42:43,082 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 2026-02-10T11:42:43,085 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75 2026-02-10T11:42:43,086 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 2026-02-10T11:42:43,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25 2026-02-10T11:42:43,089 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 2026-02-10T11:42:43,092 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5 2026-02-10T11:42:43,094 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 2026-02-10T11:42:43,097 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+ 2026-02-10T11:42:43,098 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+ 2026-02-10T11:42:43,101 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3 2026-02-10T11:42:43,102 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 2026-02-10T11:42:43,105 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+ 2026-02-10T11:42:43,106 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+ 2026-02-10T11:42:43,109 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75 2026-02-10T11:42:43,110 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 2026-02-10T11:42:43,112 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0 2026-02-10T11:42:43,113 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 2026-02-10T11:42:43,116 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+ 2026-02-10T11:42:43,118 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+ 2026-02-10T11:42:43,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75 2026-02-10T11:42:43,122 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 2026-02-10T11:42:43,125 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o 2026-02-10T11:42:43,126 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 2026-02-10T11:42:43,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0 2026-02-10T11:42:43,130 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 2026-02-10T11:42:43,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h 2026-02-10T11:42:43,134 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 2026-02-10T11:42:43,138 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21 2026-02-10T11:42:43,140 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444 2026-02-10T11:42:43,141 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 2026-02-10T11:42:43,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366 2026-02-10T11:42:43,146 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 2026-02-10T11:42:43,149 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114 2026-02-10T11:42:43,150 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 2026-02-10T11:42:43,153 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b 2026-02-10T11:42:43,155 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 2026-02-10T11:42:43,157 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99 2026-02-10T11:42:43,159 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 2026-02-10T11:42:43,162 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224 2026-02-10T11:42:43,163 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 2026-02-10T11:42:43,166 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR 2026-02-10T11:42:43,168 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 2026-02-10T11:42:43,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR 2026-02-10T11:42:43,172 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 2026-02-10T11:42:43,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab 2026-02-10T11:42:43,176 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 2026-02-10T11:42:43,180 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691 2026-02-10T11:42:43,181 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 2026-02-10T11:42:43,184 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357 2026-02-10T11:42:43,185 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 2026-02-10T11:42:43,188 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII 2026-02-10T11:42:43,189 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 2026-02-10T11:42:43,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215 2026-02-10T11:42:43,193 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 2026-02-10T11:42:43,196 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL 2026-02-10T11:42:43,198 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 2026-02-10T11:42:43,201 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL 2026-02-10T11:42:43,202 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 2026-02-10T11:42:43,205 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412 2026-02-10T11:42:43,206 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 2026-02-10T11:42:43,209 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab 2026-02-10T11:42:43,210 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 2026-02-10T11:42:43,213 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470 2026-02-10T11:42:43,214 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 2026-02-10T11:42:43,217 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300 2026-02-10T11:42:43,218 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 2026-02-10T11:42:43,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b 2026-02-10T11:42:43,223 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 2026-02-10T11:42:43,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII 2026-02-10T11:42:43,226 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 2026-02-10T11:42:43,229 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24 2026-02-10T11:42:43,231 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p 2026-02-10T11:42:43,232 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 2026-02-10T11:42:43,235 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e 2026-02-10T11:42:43,236 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 2026-02-10T11:42:43,240 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p 2026-02-10T11:42:43,241 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 2026-02-10T11:42:43,244 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e 2026-02-10T11:42:43,245 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 2026-02-10T11:42:43,249 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p 2026-02-10T11:42:43,250 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 2026-02-10T11:42:43,254 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p 2026-02-10T11:42:43,255 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 2026-02-10T11:42:43,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e 2026-02-10T11:42:43,260 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 2026-02-10T11:42:43,263 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e 2026-02-10T11:42:43,264 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 2026-02-10T11:42:43,267 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e 2026-02-10T11:42:43,268 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 2026-02-10T11:42:43,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p 2026-02-10T11:42:43,273 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 2026-02-10T11:42:43,277 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:43,279 copying build/lib/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p 2026-02-10T11:42:43,282 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e 2026-02-10T11:42:43,283 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 2026-02-10T11:42:43,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e 2026-02-10T11:42:43,287 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 2026-02-10T11:42:43,289 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p 2026-02-10T11:42:43,290 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 2026-02-10T11:42:43,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p 2026-02-10T11:42:43,294 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 2026-02-10T11:42:43,297 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p 2026-02-10T11:42:43,298 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 2026-02-10T11:42:43,301 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p 2026-02-10T11:42:43,302 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 2026-02-10T11:42:43,306 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p 2026-02-10T11:42:43,307 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 2026-02-10T11:42:43,310 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e 2026-02-10T11:42:43,312 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 2026-02-10T11:42:43,315 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p 2026-02-10T11:42:43,316 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 2026-02-10T11:42:43,319 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e 2026-02-10T11:42:43,320 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 2026-02-10T11:42:43,322 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e 2026-02-10T11:42:43,323 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 2026-02-10T11:42:43,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e 2026-02-10T11:42:43,328 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 2026-02-10T11:42:43,330 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e 2026-02-10T11:42:43,331 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 2026-02-10T11:42:43,334 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p 2026-02-10T11:42:43,335 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 2026-02-10T11:42:43,338 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e 2026-02-10T11:42:43,339 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 2026-02-10T11:42:43,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e 2026-02-10T11:42:43,343 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 2026-02-10T11:42:43,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p 2026-02-10T11:42:43,347 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 2026-02-10T11:42:43,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p 2026-02-10T11:42:43,351 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 2026-02-10T11:42:43,354 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e 2026-02-10T11:42:43,355 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 2026-02-10T11:42:43,358 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e 2026-02-10T11:42:43,359 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 2026-02-10T11:42:43,362 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e 2026-02-10T11:42:43,363 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 2026-02-10T11:42:43,366 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p 2026-02-10T11:42:43,367 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 2026-02-10T11:42:43,370 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e 2026-02-10T11:42:43,371 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 2026-02-10T11:42:43,374 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p 2026-02-10T11:42:43,375 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 2026-02-10T11:42:43,377 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p 2026-02-10T11:42:43,379 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 2026-02-10T11:42:43,381 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e 2026-02-10T11:42:43,383 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 2026-02-10T11:42:43,386 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e 2026-02-10T11:42:43,387 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 2026-02-10T11:42:43,389 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p 2026-02-10T11:42:43,390 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 2026-02-10T11:42:43,393 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e 2026-02-10T11:42:43,395 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 2026-02-10T11:42:43,398 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p 2026-02-10T11:42:43,399 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 2026-02-10T11:42:43,402 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p 2026-02-10T11:42:43,403 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 2026-02-10T11:42:43,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e 2026-02-10T11:42:43,408 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 2026-02-10T11:42:43,410 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p 2026-02-10T11:42:43,412 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 2026-02-10T11:42:43,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e 2026-02-10T11:42:43,416 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 2026-02-10T11:42:43,419 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p 2026-02-10T11:42:43,421 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 2026-02-10T11:42:43,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e 2026-02-10T11:42:43,424 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 2026-02-10T11:42:43,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p 2026-02-10T11:42:43,428 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 2026-02-10T11:42:43,432 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI 2026-02-10T11:42:43,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts 2026-02-10T11:42:43,436 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 2026-02-10T11:42:43,438 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7 2026-02-10T11:42:43,439 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 2026-02-10T11:42:43,442 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2 2026-02-10T11:42:43,443 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 2026-02-10T11:42:43,446 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a 2026-02-10T11:42:43,447 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 2026-02-10T11:42:43,450 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a 2026-02-10T11:42:43,451 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 2026-02-10T11:42:43,454 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene 2026-02-10T11:42:43,455 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 2026-02-10T11:42:43,458 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a 2026-02-10T11:42:43,460 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 2026-02-10T11:42:43,463 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4 2026-02-10T11:42:43,464 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 2026-02-10T11:42:43,467 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8 2026-02-10T11:42:43,469 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 2026-02-10T11:42:43,471 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene 2026-02-10T11:42:43,472 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 2026-02-10T11:42:43,475 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6 2026-02-10T11:42:43,476 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 2026-02-10T11:42:43,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene 2026-02-10T11:42:43,480 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 2026-02-10T11:42:43,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene 2026-02-10T11:42:43,484 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 2026-02-10T11:42:43,486 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10 2026-02-10T11:42:43,488 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 2026-02-10T11:42:43,491 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4 2026-02-10T11:42:43,492 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 2026-02-10T11:42:43,495 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r 2026-02-10T11:42:43,496 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 2026-02-10T11:42:43,498 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9 2026-02-10T11:42:43,499 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 2026-02-10T11:42:43,502 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene 2026-02-10T11:42:43,503 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 2026-02-10T11:42:43,506 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts 2026-02-10T11:42:43,507 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 2026-02-10T11:42:43,510 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r 2026-02-10T11:42:43,511 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 2026-02-10T11:42:43,514 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7 2026-02-10T11:42:43,516 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 2026-02-10T11:42:43,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts 2026-02-10T11:42:43,520 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 2026-02-10T11:42:43,522 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a 2026-02-10T11:42:43,523 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 2026-02-10T11:42:43,526 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a 2026-02-10T11:42:43,527 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 2026-02-10T11:42:43,529 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a 2026-02-10T11:42:43,531 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 2026-02-10T11:42:43,533 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a 2026-02-10T11:42:43,534 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 2026-02-10T11:42:43,537 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane 2026-02-10T11:42:43,538 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 2026-02-10T11:42:43,540 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r 2026-02-10T11:42:43,541 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 2026-02-10T11:42:43,544 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5 2026-02-10T11:42:43,545 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 2026-02-10T11:42:43,548 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a 2026-02-10T11:42:43,549 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 2026-02-10T11:42:43,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r 2026-02-10T11:42:43,553 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 2026-02-10T11:42:43,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4 2026-02-10T11:42:43,557 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 2026-02-10T11:42:43,559 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts 2026-02-10T11:42:43,560 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 2026-02-10T11:42:43,563 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene 2026-02-10T11:42:43,564 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 2026-02-10T11:42:43,566 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r 2026-02-10T11:42:43,567 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 2026-02-10T11:42:43,570 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts 2026-02-10T11:42:43,571 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 2026-02-10T11:42:43,573 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene 2026-02-10T11:42:43,574 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 2026-02-10T11:42:43,577 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3 2026-02-10T11:42:43,578 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 2026-02-10T11:42:43,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts 2026-02-10T11:42:43,582 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 2026-02-10T11:42:43,585 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene 2026-02-10T11:42:43,586 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 2026-02-10T11:42:43,589 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts 2026-02-10T11:42:43,590 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 2026-02-10T11:42:43,593 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2 2026-02-10T11:42:43,594 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 2026-02-10T11:42:43,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts 2026-02-10T11:42:43,597 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 2026-02-10T11:42:43,599 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane 2026-02-10T11:42:43,601 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 2026-02-10T11:42:43,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene 2026-02-10T11:42:43,604 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 2026-02-10T11:42:43,606 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1 2026-02-10T11:42:43,607 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 2026-02-10T11:42:43,610 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5 2026-02-10T11:42:43,611 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 2026-02-10T11:42:43,613 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8 2026-02-10T11:42:43,614 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 2026-02-10T11:42:43,617 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r 2026-02-10T11:42:43,618 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 2026-02-10T11:42:43,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r 2026-02-10T11:42:43,621 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 2026-02-10T11:42:43,624 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9 2026-02-10T11:42:43,625 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 2026-02-10T11:42:43,627 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts 2026-02-10T11:42:43,628 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 2026-02-10T11:42:43,631 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11 2026-02-10T11:42:43,632 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 2026-02-10T11:42:43,634 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r 2026-02-10T11:42:43,635 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 2026-02-10T11:42:43,638 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a 2026-02-10T11:42:43,639 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 2026-02-10T11:42:43,642 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene 2026-02-10T11:42:43,643 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 2026-02-10T11:42:43,646 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6 2026-02-10T11:42:43,647 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 2026-02-10T11:42:43,650 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene 2026-02-10T11:42:43,651 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 2026-02-10T11:42:43,654 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3 2026-02-10T11:42:43,655 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 2026-02-10T11:42:43,657 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene 2026-02-10T11:42:43,658 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 2026-02-10T11:42:43,661 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1 2026-02-10T11:42:43,662 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 2026-02-10T11:42:43,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34 2026-02-10T11:42:43,668 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27 2026-02-10T11:42:43,669 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 2026-02-10T11:42:43,672 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32 2026-02-10T11:42:43,673 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 2026-02-10T11:42:43,675 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34 2026-02-10T11:42:43,676 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 2026-02-10T11:42:43,679 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22 2026-02-10T11:42:43,680 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 2026-02-10T11:42:43,683 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31 2026-02-10T11:42:43,684 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 2026-02-10T11:42:43,686 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21 2026-02-10T11:42:43,687 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 2026-02-10T11:42:43,690 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34 2026-02-10T11:42:43,692 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 2026-02-10T11:42:43,695 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7 2026-02-10T11:42:43,696 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 2026-02-10T11:42:43,699 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9 2026-02-10T11:42:43,700 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 2026-02-10T11:42:43,702 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29 2026-02-10T11:42:43,703 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 2026-02-10T11:42:43,705 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26 2026-02-10T11:42:43,706 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 2026-02-10T11:42:43,709 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14 2026-02-10T11:42:43,710 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 2026-02-10T11:42:43,712 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1 2026-02-10T11:42:43,713 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 2026-02-10T11:42:43,716 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26 2026-02-10T11:42:43,718 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 2026-02-10T11:42:43,720 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9 2026-02-10T11:42:43,722 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 2026-02-10T11:42:43,724 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32 2026-02-10T11:42:43,725 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 2026-02-10T11:42:43,727 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31 2026-02-10T11:42:43,728 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 2026-02-10T11:42:43,731 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19 2026-02-10T11:42:43,732 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 2026-02-10T11:42:43,734 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18 2026-02-10T11:42:43,736 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 2026-02-10T11:42:43,739 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16 2026-02-10T11:42:43,739 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 2026-02-10T11:42:43,742 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21 2026-02-10T11:42:43,743 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 2026-02-10T11:42:43,745 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1 2026-02-10T11:42:43,746 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 2026-02-10T11:42:43,749 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18 2026-02-10T11:42:43,750 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 2026-02-10T11:42:43,753 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12 2026-02-10T11:42:43,754 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 2026-02-10T11:42:43,757 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29 2026-02-10T11:42:43,758 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 2026-02-10T11:42:43,761 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2 2026-02-10T11:42:43,762 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 2026-02-10T11:42:43,765 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17 2026-02-10T11:42:43,766 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 2026-02-10T11:42:43,769 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25 2026-02-10T11:42:43,770 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 2026-02-10T11:42:43,772 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27 2026-02-10T11:42:43,773 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 2026-02-10T11:42:43,777 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3 2026-02-10T11:42:43,778 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 2026-02-10T11:42:43,780 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24 2026-02-10T11:42:43,781 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 2026-02-10T11:42:43,784 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10 2026-02-10T11:42:43,785 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 2026-02-10T11:42:43,787 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13 2026-02-10T11:42:43,788 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 2026-02-10T11:42:43,791 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20 2026-02-10T11:42:43,792 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 2026-02-10T11:42:43,795 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30 2026-02-10T11:42:43,796 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 2026-02-10T11:42:43,798 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33 2026-02-10T11:42:43,800 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 2026-02-10T11:42:43,803 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4 2026-02-10T11:42:43,805 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 2026-02-10T11:42:43,807 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8 2026-02-10T11:42:43,808 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 2026-02-10T11:42:43,811 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15 2026-02-10T11:42:43,812 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 2026-02-10T11:42:43,814 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3 2026-02-10T11:42:43,815 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 2026-02-10T11:42:43,818 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23 2026-02-10T11:42:43,820 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 2026-02-10T11:42:43,823 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24 2026-02-10T11:42:43,824 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 2026-02-10T11:42:43,828 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11 2026-02-10T11:42:43,829 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 2026-02-10T11:42:43,831 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12 2026-02-10T11:42:43,832 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 2026-02-10T11:42:43,835 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23 2026-02-10T11:42:43,836 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 2026-02-10T11:42:43,839 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4 2026-02-10T11:42:43,841 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 2026-02-10T11:42:43,844 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15 2026-02-10T11:42:43,845 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 2026-02-10T11:42:43,847 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28 2026-02-10T11:42:43,848 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 2026-02-10T11:42:43,851 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33 2026-02-10T11:42:43,852 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 2026-02-10T11:42:43,854 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5 2026-02-10T11:42:43,855 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 2026-02-10T11:42:43,858 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11 2026-02-10T11:42:43,859 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 2026-02-10T11:42:43,861 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14 2026-02-10T11:42:43,862 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 2026-02-10T11:42:43,865 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20 2026-02-10T11:42:43,866 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 2026-02-10T11:42:43,868 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16 2026-02-10T11:42:43,870 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 2026-02-10T11:42:43,873 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28 2026-02-10T11:42:43,874 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 2026-02-10T11:42:43,876 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17 2026-02-10T11:42:43,877 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 2026-02-10T11:42:43,880 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25 2026-02-10T11:42:43,881 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 2026-02-10T11:42:43,883 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30 2026-02-10T11:42:43,884 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 2026-02-10T11:42:43,887 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7 2026-02-10T11:42:43,888 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 2026-02-10T11:42:43,890 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8 2026-02-10T11:42:43,892 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 2026-02-10T11:42:43,895 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13 2026-02-10T11:42:43,896 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 2026-02-10T11:42:43,898 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6 2026-02-10T11:42:43,899 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 2026-02-10T11:42:43,902 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10 2026-02-10T11:42:43,903 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 2026-02-10T11:42:43,906 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18 2026-02-10T11:42:43,908 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4 2026-02-10T11:42:43,909 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 2026-02-10T11:42:43,912 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o 2026-02-10T11:42:43,913 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 2026-02-10T11:42:43,916 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o 2026-02-10T11:42:43,917 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 2026-02-10T11:42:43,919 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9 2026-02-10T11:42:43,920 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 2026-02-10T11:42:43,922 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o 2026-02-10T11:42:43,924 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 2026-02-10T11:42:43,926 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8 2026-02-10T11:42:43,927 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 2026-02-10T11:42:43,930 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o 2026-02-10T11:42:43,931 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 2026-02-10T11:42:43,933 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3 2026-02-10T11:42:43,934 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 2026-02-10T11:42:43,938 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1 2026-02-10T11:42:43,939 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 2026-02-10T11:42:43,941 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5 2026-02-10T11:42:43,942 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 2026-02-10T11:42:43,945 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7 2026-02-10T11:42:43,946 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 2026-02-10T11:42:43,948 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4 2026-02-10T11:42:43,949 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 2026-02-10T11:42:43,952 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1 2026-02-10T11:42:43,953 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 2026-02-10T11:42:43,955 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2 2026-02-10T11:42:43,956 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 2026-02-10T11:42:43,959 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8 2026-02-10T11:42:43,960 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 2026-02-10T11:42:43,962 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6 2026-02-10T11:42:43,963 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 2026-02-10T11:42:43,966 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o 2026-02-10T11:42:43,967 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 2026-02-10T11:42:43,969 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o 2026-02-10T11:42:43,970 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 2026-02-10T11:42:43,973 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o 2026-02-10T11:42:43,974 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 2026-02-10T11:42:43,977 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5 2026-02-10T11:42:43,978 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 2026-02-10T11:42:43,981 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9 2026-02-10T11:42:43,983 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 2026-02-10T11:42:43,986 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2 2026-02-10T11:42:43,987 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 2026-02-10T11:42:43,990 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7 2026-02-10T11:42:43,991 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 2026-02-10T11:42:43,994 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o 2026-02-10T11:42:43,995 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 2026-02-10T11:42:43,997 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3 2026-02-10T11:42:43,998 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 2026-02-10T11:42:44,001 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o 2026-02-10T11:42:44,002 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 2026-02-10T11:42:44,004 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6 2026-02-10T11:42:44,006 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 2026-02-10T11:42:44,008 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o 2026-02-10T11:42:44,009 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 2026-02-10T11:42:44,012 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10 2026-02-10T11:42:44,013 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4 2026-02-10T11:42:44,015 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 2026-02-10T11:42:44,017 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10 2026-02-10T11:42:44,019 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 2026-02-10T11:42:44,021 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8 2026-02-10T11:42:44,022 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 2026-02-10T11:42:44,024 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2 2026-02-10T11:42:44,025 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 2026-02-10T11:42:44,028 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3 2026-02-10T11:42:44,029 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 2026-02-10T11:42:44,031 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6 2026-02-10T11:42:44,032 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 2026-02-10T11:42:44,034 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8 2026-02-10T11:42:44,035 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 2026-02-10T11:42:44,038 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1 2026-02-10T11:42:44,039 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 2026-02-10T11:42:44,041 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7 2026-02-10T11:42:44,043 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 2026-02-10T11:42:44,046 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10 2026-02-10T11:42:44,047 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 2026-02-10T11:42:44,050 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5 2026-02-10T11:42:44,051 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 2026-02-10T11:42:44,054 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5 2026-02-10T11:42:44,055 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 2026-02-10T11:42:44,057 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9 2026-02-10T11:42:44,058 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 2026-02-10T11:42:44,061 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2 2026-02-10T11:42:44,062 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 2026-02-10T11:42:44,065 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1 2026-02-10T11:42:44,066 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 2026-02-10T11:42:44,068 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9 2026-02-10T11:42:44,069 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 2026-02-10T11:42:44,071 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4 2026-02-10T11:42:44,072 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 2026-02-10T11:42:44,075 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3 2026-02-10T11:42:44,076 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 2026-02-10T11:42:44,078 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7 2026-02-10T11:42:44,079 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 2026-02-10T11:42:44,082 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6 2026-02-10T11:42:44,083 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 2026-02-10T11:42:44,087 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36 2026-02-10T11:42:44,088 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4 2026-02-10T11:42:44,090 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 2026-02-10T11:42:44,093 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15 2026-02-10T11:42:44,094 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 2026-02-10T11:42:44,096 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1 2026-02-10T11:42:44,097 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 2026-02-10T11:42:44,100 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6 2026-02-10T11:42:44,101 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 2026-02-10T11:42:44,103 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7 2026-02-10T11:42:44,104 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 2026-02-10T11:42:44,107 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8 2026-02-10T11:42:44,108 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 2026-02-10T11:42:44,110 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1 2026-02-10T11:42:44,111 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 2026-02-10T11:42:44,113 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12 2026-02-10T11:42:44,114 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 2026-02-10T11:42:44,117 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13 2026-02-10T11:42:44,118 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 2026-02-10T11:42:44,121 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16 2026-02-10T11:42:44,122 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 2026-02-10T11:42:44,124 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2 2026-02-10T11:42:44,125 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 2026-02-10T11:42:44,129 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9 2026-02-10T11:42:44,130 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 2026-02-10T11:42:44,133 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4 2026-02-10T11:42:44,134 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 2026-02-10T11:42:44,136 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13 2026-02-10T11:42:44,137 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 2026-02-10T11:42:44,141 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5 2026-02-10T11:42:44,142 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 2026-02-10T11:42:44,144 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11 2026-02-10T11:42:44,145 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 2026-02-10T11:42:44,148 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6 2026-02-10T11:42:44,149 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 2026-02-10T11:42:44,151 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14 2026-02-10T11:42:44,152 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 2026-02-10T11:42:44,155 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10 2026-02-10T11:42:44,156 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 2026-02-10T11:42:44,160 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2 2026-02-10T11:42:44,161 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 2026-02-10T11:42:44,164 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3 2026-02-10T11:42:44,165 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 2026-02-10T11:42:44,168 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7 2026-02-10T11:42:44,169 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 2026-02-10T11:42:44,171 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10 2026-02-10T11:42:44,172 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 2026-02-10T11:42:44,175 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4 2026-02-10T11:42:44,176 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 2026-02-10T11:42:44,178 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6 2026-02-10T11:42:44,180 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 2026-02-10T11:42:44,183 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1 2026-02-10T11:42:44,184 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 2026-02-10T11:42:44,187 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14 2026-02-10T11:42:44,188 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 2026-02-10T11:42:44,192 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15 2026-02-10T11:42:44,193 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 2026-02-10T11:42:44,195 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5 2026-02-10T11:42:44,197 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 2026-02-10T11:42:44,199 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2 2026-02-10T11:42:44,200 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 2026-02-10T11:42:44,203 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8 2026-02-10T11:42:44,204 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 2026-02-10T11:42:44,207 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3 2026-02-10T11:42:44,209 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 2026-02-10T11:42:44,211 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12 2026-02-10T11:42:44,212 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 2026-02-10T11:42:44,214 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11 2026-02-10T11:42:44,216 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 2026-02-10T11:42:44,218 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4 2026-02-10T11:42:44,219 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 2026-02-10T11:42:44,221 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3 2026-02-10T11:42:44,222 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 2026-02-10T11:42:44,225 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9 2026-02-10T11:42:44,226 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 2026-02-10T11:42:44,228 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5 2026-02-10T11:42:44,230 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 2026-02-10T11:42:44,233 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8 2026-02-10T11:42:44,234 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h 2026-02-10T11:42:44,235 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 2026-02-10T11:42:44,238 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4 2026-02-10T11:42:44,239 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 2026-02-10T11:42:44,241 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2 2026-02-10T11:42:44,242 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 2026-02-10T11:42:44,245 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch 2026-02-10T11:42:44,246 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 2026-02-10T11:42:44,248 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me 2026-02-10T11:42:44,249 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 2026-02-10T11:42:44,252 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8 2026-02-10T11:42:44,253 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 2026-02-10T11:42:44,255 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4 2026-02-10T11:42:44,256 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 2026-02-10T11:42:44,259 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2 2026-02-10T11:42:44,260 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 2026-02-10T11:42:44,262 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+ 2026-02-10T11:42:44,263 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+ 2026-02-10T11:42:44,265 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n 2026-02-10T11:42:44,266 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 2026-02-10T11:42:44,269 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me 2026-02-10T11:42:44,270 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 2026-02-10T11:42:44,272 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2 2026-02-10T11:42:44,273 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 2026-02-10T11:42:44,276 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2 2026-02-10T11:42:44,277 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 2026-02-10T11:42:44,279 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8 2026-02-10T11:42:44,280 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 2026-02-10T11:42:44,283 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+ 2026-02-10T11:42:44,283 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+ 2026-02-10T11:42:44,286 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c 2026-02-10T11:42:44,287 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 2026-02-10T11:42:44,290 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2 2026-02-10T11:42:44,291 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 2026-02-10T11:42:44,293 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6 2026-02-10T11:42:44,295 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6 2026-02-10T11:42:44,296 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 2026-02-10T11:42:44,299 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4 2026-02-10T11:42:44,300 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 2026-02-10T11:42:44,302 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3 2026-02-10T11:42:44,303 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 2026-02-10T11:42:44,305 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5 2026-02-10T11:42:44,306 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 2026-02-10T11:42:44,309 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2 2026-02-10T11:42:44,310 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 2026-02-10T11:42:44,312 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3 2026-02-10T11:42:44,313 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 2026-02-10T11:42:44,317 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6 2026-02-10T11:42:44,318 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 2026-02-10T11:42:44,321 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2 2026-02-10T11:42:44,323 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 2026-02-10T11:42:44,326 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5 2026-02-10T11:42:44,327 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 2026-02-10T11:42:44,329 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7 2026-02-10T11:42:44,330 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 2026-02-10T11:42:44,333 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7 2026-02-10T11:42:44,334 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 2026-02-10T11:42:44,336 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4 2026-02-10T11:42:44,337 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 2026-02-10T11:42:44,340 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23 2026-02-10T11:42:44,342 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c 2026-02-10T11:42:44,344 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 2026-02-10T11:42:44,346 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a 2026-02-10T11:42:44,347 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 2026-02-10T11:42:44,350 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b 2026-02-10T11:42:44,351 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 2026-02-10T11:42:44,355 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z 2026-02-10T11:42:44,356 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 2026-02-10T11:42:44,359 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f 2026-02-10T11:42:44,361 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 2026-02-10T11:42:44,364 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a 2026-02-10T11:42:44,365 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 2026-02-10T11:42:44,368 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa 2026-02-10T11:42:44,369 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 2026-02-10T11:42:44,372 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a 2026-02-10T11:42:44,373 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 2026-02-10T11:42:44,376 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b 2026-02-10T11:42:44,377 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 2026-02-10T11:42:44,380 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d 2026-02-10T11:42:44,381 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 2026-02-10T11:42:44,383 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m 2026-02-10T11:42:44,384 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 2026-02-10T11:42:44,387 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p 2026-02-10T11:42:44,389 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 2026-02-10T11:42:44,391 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p 2026-02-10T11:42:44,392 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 2026-02-10T11:42:44,395 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g 2026-02-10T11:42:44,396 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 2026-02-10T11:42:44,399 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a 2026-02-10T11:42:44,400 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 2026-02-10T11:42:44,403 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a 2026-02-10T11:42:44,404 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 2026-02-10T11:42:44,407 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d 2026-02-10T11:42:44,408 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 2026-02-10T11:42:44,411 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p 2026-02-10T11:42:44,412 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 2026-02-10T11:42:44,415 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p 2026-02-10T11:42:44,416 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 2026-02-10T11:42:44,418 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a 2026-02-10T11:42:44,420 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 2026-02-10T11:42:44,423 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b 2026-02-10T11:42:44,424 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 2026-02-10T11:42:44,427 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h 2026-02-10T11:42:44,428 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 2026-02-10T11:42:44,430 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e 2026-02-10T11:42:44,431 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 2026-02-10T11:42:44,434 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b 2026-02-10T11:42:44,435 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 2026-02-10T11:42:44,439 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF 2026-02-10T11:42:44,441 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2 2026-02-10T11:42:44,442 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 2026-02-10T11:42:44,445 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3 2026-02-10T11:42:44,446 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 2026-02-10T11:42:44,449 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3 2026-02-10T11:42:44,450 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 2026-02-10T11:42:44,452 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2 2026-02-10T11:42:44,453 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 2026-02-10T11:42:44,456 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3 2026-02-10T11:42:44,457 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 2026-02-10T11:42:44,460 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2 2026-02-10T11:42:44,462 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 2026-02-10T11:42:44,465 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1 2026-02-10T11:42:44,466 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 2026-02-10T11:42:44,469 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2 2026-02-10T11:42:44,470 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 2026-02-10T11:42:44,472 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2 2026-02-10T11:42:44,473 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 2026-02-10T11:42:44,476 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1 2026-02-10T11:42:44,477 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 2026-02-10T11:42:44,479 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2 2026-02-10T11:42:44,480 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 2026-02-10T11:42:44,483 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1 2026-02-10T11:42:44,484 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 2026-02-10T11:42:44,487 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2 2026-02-10T11:42:44,489 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 2026-02-10T11:42:44,492 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2 2026-02-10T11:42:44,493 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 2026-02-10T11:42:44,496 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2 2026-02-10T11:42:44,497 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 2026-02-10T11:42:44,499 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3 2026-02-10T11:42:44,501 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 2026-02-10T11:42:44,503 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1 2026-02-10T11:42:44,505 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 2026-02-10T11:42:44,507 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1 2026-02-10T11:42:44,509 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 2026-02-10T11:42:44,512 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2 2026-02-10T11:42:44,513 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 2026-02-10T11:42:44,516 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1 2026-02-10T11:42:44,517 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 2026-02-10T11:42:44,519 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4 2026-02-10T11:42:44,521 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 2026-02-10T11:42:44,523 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1 2026-02-10T11:42:44,524 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 2026-02-10T11:42:44,527 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1 2026-02-10T11:42:44,528 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 2026-02-10T11:42:44,530 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1 2026-02-10T11:42:44,532 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 2026-02-10T11:42:44,534 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3 2026-02-10T11:42:44,535 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 2026-02-10T11:42:44,539 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4 2026-02-10T11:42:44,540 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 2026-02-10T11:42:44,543 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1 2026-02-10T11:42:44,544 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 2026-02-10T11:42:44,547 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF 2026-02-10T11:42:44,549 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+ 2026-02-10T11:42:44,550 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+ 2026-02-10T11:42:44,552 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt 2026-02-10T11:42:44,553 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 2026-02-10T11:42:44,556 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG 2026-02-10T11:42:44,557 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 2026-02-10T11:42:44,560 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G 2026-02-10T11:42:44,561 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 2026-02-10T11:42:44,564 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T 2026-02-10T11:42:44,565 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 2026-02-10T11:42:44,568 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt 2026-02-10T11:42:44,569 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 2026-02-10T11:42:44,571 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+ 2026-02-10T11:42:44,573 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+ 2026-02-10T11:42:44,575 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g- 2026-02-10T11:42:44,577 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- 2026-02-10T11:42:44,580 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg 2026-02-10T11:42:44,581 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 2026-02-10T11:42:44,584 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g- 2026-02-10T11:42:44,585 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- 2026-02-10T11:42:44,587 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg 2026-02-10T11:42:44,589 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 2026-02-10T11:42:44,592 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g- 2026-02-10T11:42:44,593 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- 2026-02-10T11:42:44,596 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG 2026-02-10T11:42:44,597 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 2026-02-10T11:42:44,600 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX 2026-02-10T11:42:44,601 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 2026-02-10T11:42:44,603 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt 2026-02-10T11:42:44,605 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 2026-02-10T11:42:44,607 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT 2026-02-10T11:42:44,608 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 2026-02-10T11:42:44,611 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg 2026-02-10T11:42:44,612 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 2026-02-10T11:42:44,615 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x- 2026-02-10T11:42:44,616 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- 2026-02-10T11:42:44,620 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,622 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 2026-02-10T11:42:44,624 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 2026-02-10T11:42:44,626 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 2026-02-10T11:42:44,628 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 2026-02-10T11:42:44,630 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 2026-02-10T11:42:44,631 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 2026-02-10T11:42:44,633 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 2026-02-10T11:42:44,635 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 2026-02-10T11:42:44,637 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 2026-02-10T11:42:44,638 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 2026-02-10T11:42:44,640 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 2026-02-10T11:42:44,642 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 2026-02-10T11:42:44,644 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 2026-02-10T11:42:44,645 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 2026-02-10T11:42:44,647 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 2026-02-10T11:42:44,649 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 2026-02-10T11:42:44,651 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 2026-02-10T11:42:44,653 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 2026-02-10T11:42:44,655 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 2026-02-10T11:42:44,658 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 2026-02-10T11:42:44,660 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 2026-02-10T11:42:44,662 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 2026-02-10T11:42:44,666 creating build/bdist.linux-armv7l/wheel/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,667 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,669 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,671 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,673 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,675 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,677 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,679 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,680 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,682 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,684 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,686 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,687 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,689 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,691 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,693 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,695 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,697 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,699 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,701 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,703 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,705 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,707 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,709 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,710 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,712 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,714 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,716 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,718 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,720 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,722 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,723 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,725 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,727 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,729 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,731 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,733 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,735 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,737 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,739 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,741 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,743 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,744 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,747 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,749 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,750 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,752 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,754 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,756 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,758 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,762 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,764 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,766 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,769 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,771 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,773 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,775 copying build/lib/xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt -> build/bdist.linux-armv7l/wheel/./xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY 2026-02-10T11:42:44,780 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset 2026-02-10T11:42:44,782 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries 2026-02-10T11:42:44,784 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF 2026-02-10T11:42:44,807 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6 2026-02-10T11:42:44,823 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13 2026-02-10T11:42:44,875 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6 2026-02-10T11:42:44,903 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,905 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 2026-02-10T11:42:44,907 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 2026-02-10T11:42:44,909 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 2026-02-10T11:42:44,911 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 2026-02-10T11:42:44,913 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 2026-02-10T11:42:44,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,917 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 2026-02-10T11:42:44,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,921 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 2026-02-10T11:42:44,922 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 2026-02-10T11:42:44,924 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 2026-02-10T11:42:44,926 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 2026-02-10T11:42:44,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,931 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 2026-02-10T11:42:44,933 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 2026-02-10T11:42:44,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,937 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 2026-02-10T11:42:44,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,940 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 2026-02-10T11:42:44,942 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 2026-02-10T11:42:44,943 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 2026-02-10T11:42:44,945 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 2026-02-10T11:42:44,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,953 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 2026-02-10T11:42:44,955 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 2026-02-10T11:42:44,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,960 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 2026-02-10T11:42:44,962 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 2026-02-10T11:42:44,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,965 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 2026-02-10T11:42:44,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,969 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 2026-02-10T11:42:44,971 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 2026-02-10T11:42:44,972 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 2026-02-10T11:42:44,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,978 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 2026-02-10T11:42:44,980 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 2026-02-10T11:42:44,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,983 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 2026-02-10T11:42:44,985 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 2026-02-10T11:42:44,988 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 2026-02-10T11:42:44,990 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 2026-02-10T11:42:44,993 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 2026-02-10T11:42:44,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:44,997 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 2026-02-10T11:42:45,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,003 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 2026-02-10T11:42:45,006 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 2026-02-10T11:42:45,008 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 2026-02-10T11:42:45,010 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 2026-02-10T11:42:45,012 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 2026-02-10T11:42:45,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,015 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 2026-02-10T11:42:45,018 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 2026-02-10T11:42:45,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,023 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 2026-02-10T11:42:45,025 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 2026-02-10T11:42:45,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,034 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 2026-02-10T11:42:45,035 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 2026-02-10T11:42:45,037 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 2026-02-10T11:42:45,039 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 2026-02-10T11:42:45,041 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 2026-02-10T11:42:45,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,044 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 2026-02-10T11:42:45,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,050 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 2026-02-10T11:42:45,052 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 2026-02-10T11:42:45,054 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 2026-02-10T11:42:45,055 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 2026-02-10T11:42:45,057 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 2026-02-10T11:42:45,059 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 2026-02-10T11:42:45,061 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 2026-02-10T11:42:45,063 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 2026-02-10T11:42:45,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,068 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 2026-02-10T11:42:45,070 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 2026-02-10T11:42:45,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,075 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 2026-02-10T11:42:45,077 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 2026-02-10T11:42:45,079 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 2026-02-10T11:42:45,082 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 2026-02-10T11:42:45,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,086 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 2026-02-10T11:42:45,088 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 2026-02-10T11:42:45,090 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 2026-02-10T11:42:45,092 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 2026-02-10T11:42:45,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,096 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 2026-02-10T11:42:45,098 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 2026-02-10T11:42:45,100 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 2026-02-10T11:42:45,102 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 2026-02-10T11:42:45,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,106 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 2026-02-10T11:42:45,108 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 2026-02-10T11:42:45,111 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 2026-02-10T11:42:45,112 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 2026-02-10T11:42:45,114 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 2026-02-10T11:42:45,116 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 2026-02-10T11:42:45,118 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 2026-02-10T11:42:45,120 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 2026-02-10T11:42:45,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,124 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 2026-02-10T11:42:45,126 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 2026-02-10T11:42:45,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,133 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 2026-02-10T11:42:45,135 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 2026-02-10T11:42:45,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,139 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 2026-02-10T11:42:45,141 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 2026-02-10T11:42:45,143 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 2026-02-10T11:42:45,145 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 2026-02-10T11:42:45,148 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 2026-02-10T11:42:45,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,152 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 2026-02-10T11:42:45,154 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 2026-02-10T11:42:45,156 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 2026-02-10T11:42:45,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,162 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 2026-02-10T11:42:45,165 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 2026-02-10T11:42:45,167 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 2026-02-10T11:42:45,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,178 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 2026-02-10T11:42:45,180 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 2026-02-10T11:42:45,182 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 2026-02-10T11:42:45,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,186 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 2026-02-10T11:42:45,188 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 2026-02-10T11:42:45,190 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 2026-02-10T11:42:45,192 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 2026-02-10T11:42:45,194 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 2026-02-10T11:42:45,196 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 2026-02-10T11:42:45,198 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 2026-02-10T11:42:45,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,205 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 2026-02-10T11:42:45,206 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 2026-02-10T11:42:45,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,212 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 2026-02-10T11:42:45,215 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 2026-02-10T11:42:45,217 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 2026-02-10T11:42:45,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,222 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 2026-02-10T11:42:45,224 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 2026-02-10T11:42:45,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,231 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 2026-02-10T11:42:45,233 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 2026-02-10T11:42:45,235 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 2026-02-10T11:42:45,237 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 2026-02-10T11:42:45,239 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 2026-02-10T11:42:45,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,243 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 2026-02-10T11:42:45,245 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 2026-02-10T11:42:45,247 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 2026-02-10T11:42:45,249 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 2026-02-10T11:42:45,251 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 2026-02-10T11:42:45,253 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 2026-02-10T11:42:45,254 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 2026-02-10T11:42:45,256 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 2026-02-10T11:42:45,258 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 2026-02-10T11:42:45,260 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 2026-02-10T11:42:45,263 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 2026-02-10T11:42:45,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,271 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 2026-02-10T11:42:45,273 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 2026-02-10T11:42:45,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,277 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 2026-02-10T11:42:45,279 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 2026-02-10T11:42:45,280 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 2026-02-10T11:42:45,282 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 2026-02-10T11:42:45,285 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 2026-02-10T11:42:45,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,291 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 2026-02-10T11:42:45,293 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 2026-02-10T11:42:45,295 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 2026-02-10T11:42:45,298 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 2026-02-10T11:42:45,299 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 2026-02-10T11:42:45,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10 2026-02-10T11:42:45,304 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 2026-02-10T11:42:45,306 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 2026-02-10T11:42:45,308 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 2026-02-10T11:42:45,310 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 2026-02-10T11:42:45,313 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14 2026-02-10T11:42:45,351 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10 2026-02-10T11:42:45,810 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:45,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,348 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,828 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519 2026-02-10T11:42:46,892 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:46,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20 2026-02-10T11:42:47,013 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,350 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,460 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:47,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8 2026-02-10T11:42:48,371 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27 2026-02-10T11:42:48,424 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,498 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27 2026-02-10T11:42:48,511 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140 2026-02-10T11:42:48,822 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,833 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 2026-02-10T11:42:48,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,837 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 2026-02-10T11:42:48,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,855 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 2026-02-10T11:42:48,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,862 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,867 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 2026-02-10T11:42:48,870 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 2026-02-10T11:42:48,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,887 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 2026-02-10T11:42:48,889 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 2026-02-10T11:42:48,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,896 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 2026-02-10T11:42:48,898 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 2026-02-10T11:42:48,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,931 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 2026-02-10T11:42:48,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,936 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 2026-02-10T11:42:48,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,942 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 2026-02-10T11:42:48,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8 2026-02-10T11:42:48,964 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM 2026-02-10T11:42:48,965 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 2026-02-10T11:42:48,968 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 2026-02-10T11:42:48,971 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 2026-02-10T11:42:48,974 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 2026-02-10T11:42:48,976 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 2026-02-10T11:42:48,978 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 2026-02-10T11:42:48,980 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 2026-02-10T11:42:48,982 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 2026-02-10T11:42:48,984 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 2026-02-10T11:42:48,987 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 2026-02-10T11:42:48,989 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 2026-02-10T11:42:48,991 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 2026-02-10T11:42:48,993 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 2026-02-10T11:42:48,996 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 2026-02-10T11:42:48,998 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 2026-02-10T11:42:49,000 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 2026-02-10T11:42:49,002 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 2026-02-10T11:42:49,004 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 2026-02-10T11:42:49,006 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 2026-02-10T11:42:49,009 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 2026-02-10T11:42:49,011 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 2026-02-10T11:42:49,013 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 2026-02-10T11:42:49,015 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 2026-02-10T11:42:49,017 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 2026-02-10T11:42:49,019 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 2026-02-10T11:42:49,021 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 2026-02-10T11:42:49,024 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 2026-02-10T11:42:49,026 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 2026-02-10T11:42:49,028 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 2026-02-10T11:42:49,030 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 2026-02-10T11:42:49,032 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 2026-02-10T11:42:49,034 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 2026-02-10T11:42:49,036 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 2026-02-10T11:42:49,038 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 2026-02-10T11:42:49,040 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 2026-02-10T11:42:49,042 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 2026-02-10T11:42:49,044 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 2026-02-10T11:42:49,047 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 2026-02-10T11:42:49,049 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 2026-02-10T11:42:49,052 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 2026-02-10T11:42:49,055 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 2026-02-10T11:42:49,057 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 2026-02-10T11:42:49,059 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 2026-02-10T11:42:49,061 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 2026-02-10T11:42:49,064 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 2026-02-10T11:42:49,066 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 2026-02-10T11:42:49,069 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 2026-02-10T11:42:49,072 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 2026-02-10T11:42:49,075 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 2026-02-10T11:42:49,078 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 2026-02-10T11:42:49,080 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 2026-02-10T11:42:49,082 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 2026-02-10T11:42:49,085 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 2026-02-10T11:42:49,087 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 2026-02-10T11:42:49,089 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 2026-02-10T11:42:49,091 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 2026-02-10T11:42:49,093 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 2026-02-10T11:42:49,095 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 2026-02-10T11:42:49,098 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 2026-02-10T11:42:49,100 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 2026-02-10T11:42:49,102 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 2026-02-10T11:42:49,104 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 2026-02-10T11:42:49,107 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 2026-02-10T11:42:49,109 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 2026-02-10T11:42:49,112 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 2026-02-10T11:42:49,115 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 2026-02-10T11:42:49,117 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 2026-02-10T11:42:49,119 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 2026-02-10T11:42:49,121 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 2026-02-10T11:42:49,124 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 2026-02-10T11:42:49,126 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 2026-02-10T11:42:49,129 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 2026-02-10T11:42:49,132 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 2026-02-10T11:42:49,134 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 2026-02-10T11:42:49,136 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 2026-02-10T11:42:49,138 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 2026-02-10T11:42:49,140 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 2026-02-10T11:42:49,142 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 2026-02-10T11:42:49,145 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 2026-02-10T11:42:49,147 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 2026-02-10T11:42:49,150 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 2026-02-10T11:42:49,152 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 2026-02-10T11:42:49,154 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 2026-02-10T11:42:49,156 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 2026-02-10T11:42:49,159 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 2026-02-10T11:42:49,162 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 2026-02-10T11:42:49,165 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 2026-02-10T11:42:49,167 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 2026-02-10T11:42:49,170 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 2026-02-10T11:42:49,172 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 2026-02-10T11:42:49,175 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 2026-02-10T11:42:49,177 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 2026-02-10T11:42:49,180 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 2026-02-10T11:42:49,182 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 2026-02-10T11:42:49,184 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 2026-02-10T11:42:49,186 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 2026-02-10T11:42:49,188 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 2026-02-10T11:42:49,190 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 2026-02-10T11:42:49,192 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 2026-02-10T11:42:49,194 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 2026-02-10T11:42:49,196 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 2026-02-10T11:42:49,199 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 2026-02-10T11:42:49,201 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 2026-02-10T11:42:49,203 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 2026-02-10T11:42:49,206 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 2026-02-10T11:42:49,209 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 2026-02-10T11:42:49,212 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 2026-02-10T11:42:49,214 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 2026-02-10T11:42:49,216 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 2026-02-10T11:42:49,218 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 2026-02-10T11:42:49,220 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 2026-02-10T11:42:49,222 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 2026-02-10T11:42:49,224 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 2026-02-10T11:42:49,227 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 2026-02-10T11:42:49,230 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 2026-02-10T11:42:49,232 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 2026-02-10T11:42:49,234 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 2026-02-10T11:42:49,236 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 2026-02-10T11:42:49,238 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 2026-02-10T11:42:49,240 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 2026-02-10T11:42:49,242 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 2026-02-10T11:42:49,245 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 2026-02-10T11:42:49,247 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 2026-02-10T11:42:49,249 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 2026-02-10T11:42:49,251 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 2026-02-10T11:42:49,253 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 2026-02-10T11:42:49,255 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 2026-02-10T11:42:49,257 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 2026-02-10T11:42:49,259 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 2026-02-10T11:42:49,261 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 2026-02-10T11:42:49,263 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 2026-02-10T11:42:49,265 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 2026-02-10T11:42:49,267 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 2026-02-10T11:42:49,269 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 2026-02-10T11:42:49,271 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 2026-02-10T11:42:49,274 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 2026-02-10T11:42:49,276 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 2026-02-10T11:42:49,278 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 2026-02-10T11:42:49,280 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 2026-02-10T11:42:49,282 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 2026-02-10T11:42:49,284 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 2026-02-10T11:42:49,287 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 2026-02-10T11:42:49,289 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 2026-02-10T11:42:49,292 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 2026-02-10T11:42:49,294 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 2026-02-10T11:42:49,296 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 2026-02-10T11:42:49,298 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 2026-02-10T11:42:49,300 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 2026-02-10T11:42:49,302 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 2026-02-10T11:42:49,305 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 2026-02-10T11:42:49,307 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 2026-02-10T11:42:49,309 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 2026-02-10T11:42:49,311 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 2026-02-10T11:42:49,313 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 2026-02-10T11:42:49,315 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 2026-02-10T11:42:49,317 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 2026-02-10T11:42:49,319 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 2026-02-10T11:42:49,321 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 2026-02-10T11:42:49,323 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 2026-02-10T11:42:49,325 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 2026-02-10T11:42:49,327 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 2026-02-10T11:42:49,329 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 2026-02-10T11:42:49,331 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 2026-02-10T11:42:49,333 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 2026-02-10T11:42:49,335 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 2026-02-10T11:42:49,337 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 2026-02-10T11:42:49,340 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 2026-02-10T11:42:49,341 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 2026-02-10T11:42:49,343 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 2026-02-10T11:42:49,345 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 2026-02-10T11:42:49,347 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 2026-02-10T11:42:49,350 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 2026-02-10T11:42:49,352 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 2026-02-10T11:42:49,354 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 2026-02-10T11:42:49,356 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 2026-02-10T11:42:49,358 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 2026-02-10T11:42:49,361 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 2026-02-10T11:42:49,364 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 2026-02-10T11:42:49,366 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 2026-02-10T11:42:49,369 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 2026-02-10T11:42:49,371 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 2026-02-10T11:42:49,374 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 2026-02-10T11:42:49,376 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 2026-02-10T11:42:49,379 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 2026-02-10T11:42:49,381 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 2026-02-10T11:42:49,383 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 2026-02-10T11:42:49,385 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 2026-02-10T11:42:49,387 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 2026-02-10T11:42:49,390 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 2026-02-10T11:42:49,392 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 2026-02-10T11:42:49,395 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 2026-02-10T11:42:49,397 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 2026-02-10T11:42:49,400 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 2026-02-10T11:42:49,403 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 2026-02-10T11:42:49,405 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 2026-02-10T11:42:49,407 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 2026-02-10T11:42:49,409 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 2026-02-10T11:42:49,411 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 2026-02-10T11:42:49,414 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 2026-02-10T11:42:49,416 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 2026-02-10T11:42:49,418 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 2026-02-10T11:42:49,421 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 2026-02-10T11:42:49,424 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 2026-02-10T11:42:49,426 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 2026-02-10T11:42:49,429 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 2026-02-10T11:42:49,432 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 2026-02-10T11:42:49,435 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 2026-02-10T11:42:49,437 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 2026-02-10T11:42:49,439 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 2026-02-10T11:42:49,441 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 2026-02-10T11:42:49,443 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 2026-02-10T11:42:49,446 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 2026-02-10T11:42:49,448 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 2026-02-10T11:42:49,451 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 2026-02-10T11:42:49,454 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 2026-02-10T11:42:49,456 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 2026-02-10T11:42:49,458 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 2026-02-10T11:42:49,460 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 2026-02-10T11:42:49,462 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 2026-02-10T11:42:49,464 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 2026-02-10T11:42:49,467 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 2026-02-10T11:42:49,470 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 2026-02-10T11:42:49,472 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 2026-02-10T11:42:49,475 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 2026-02-10T11:42:49,477 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 2026-02-10T11:42:49,480 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 2026-02-10T11:42:49,482 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 2026-02-10T11:42:49,484 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 2026-02-10T11:42:49,486 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 2026-02-10T11:42:49,488 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 2026-02-10T11:42:49,491 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 2026-02-10T11:42:49,493 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 2026-02-10T11:42:49,496 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 2026-02-10T11:42:49,498 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 2026-02-10T11:42:49,500 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 2026-02-10T11:42:49,503 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 2026-02-10T11:42:49,505 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 2026-02-10T11:42:49,508 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 2026-02-10T11:42:49,510 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 2026-02-10T11:42:49,512 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 2026-02-10T11:42:49,514 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 2026-02-10T11:42:49,516 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 2026-02-10T11:42:49,519 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 2026-02-10T11:42:49,521 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 2026-02-10T11:42:49,524 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 2026-02-10T11:42:49,527 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 2026-02-10T11:42:49,529 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 2026-02-10T11:42:49,531 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 2026-02-10T11:42:49,534 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 2026-02-10T11:42:49,536 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 2026-02-10T11:42:49,538 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 2026-02-10T11:42:49,540 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 2026-02-10T11:42:49,542 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 2026-02-10T11:42:49,544 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 2026-02-10T11:42:49,546 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 2026-02-10T11:42:49,549 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 2026-02-10T11:42:49,551 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 2026-02-10T11:42:49,554 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 2026-02-10T11:42:49,556 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 2026-02-10T11:42:49,558 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 2026-02-10T11:42:49,561 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 2026-02-10T11:42:49,563 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 2026-02-10T11:42:49,565 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 2026-02-10T11:42:49,568 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 2026-02-10T11:42:49,570 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 2026-02-10T11:42:49,573 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 2026-02-10T11:42:49,575 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 2026-02-10T11:42:49,578 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 2026-02-10T11:42:49,580 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 2026-02-10T11:42:49,582 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 2026-02-10T11:42:49,584 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 2026-02-10T11:42:49,587 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 2026-02-10T11:42:49,589 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 2026-02-10T11:42:49,592 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 2026-02-10T11:42:49,594 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 2026-02-10T11:42:49,596 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 2026-02-10T11:42:49,599 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,617 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14 2026-02-10T11:42:49,634 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65 2026-02-10T11:42:49,793 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18 2026-02-10T11:42:49,839 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6 2026-02-10T11:42:49,859 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13 2026-02-10T11:42:49,912 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24 2026-02-10T11:42:49,934 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:49,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10 2026-02-10T11:42:50,214 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,260 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 2026-02-10T11:42:50,262 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 2026-02-10T11:42:50,264 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 2026-02-10T11:42:50,267 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 2026-02-10T11:42:50,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,272 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 2026-02-10T11:42:50,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,312 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 2026-02-10T11:42:50,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15 2026-02-10T11:42:50,323 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC 2026-02-10T11:42:50,440 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18 2026-02-10T11:42:50,519 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19 2026-02-10T11:42:50,568 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,702 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,728 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99 2026-02-10T11:42:50,763 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,802 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl 2026-02-10T11:42:50,834 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,849 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,902 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:50,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60 2026-02-10T11:42:51,088 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,089 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 2026-02-10T11:42:51,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,101 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 2026-02-10T11:42:51,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,106 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 2026-02-10T11:42:51,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,115 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 2026-02-10T11:42:51,118 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 2026-02-10T11:42:51,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,124 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 2026-02-10T11:42:51,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,138 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,142 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 2026-02-10T11:42:51,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,154 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 2026-02-10T11:42:51,157 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 2026-02-10T11:42:51,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,171 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 2026-02-10T11:42:51,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,178 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 2026-02-10T11:42:51,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,185 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 2026-02-10T11:42:51,187 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 2026-02-10T11:42:51,189 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 2026-02-10T11:42:51,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,193 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 2026-02-10T11:42:51,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,199 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 2026-02-10T11:42:51,201 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 2026-02-10T11:42:51,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,204 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 2026-02-10T11:42:51,206 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 2026-02-10T11:42:51,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,211 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 2026-02-10T11:42:51,212 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 2026-02-10T11:42:51,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,223 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 2026-02-10T11:42:51,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,227 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 2026-02-10T11:42:51,229 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 2026-02-10T11:42:51,231 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 2026-02-10T11:42:51,235 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 2026-02-10T11:42:51,236 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 2026-02-10T11:42:51,238 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 2026-02-10T11:42:51,240 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 2026-02-10T11:42:51,242 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 2026-02-10T11:42:51,244 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 2026-02-10T11:42:51,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,253 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 2026-02-10T11:42:51,254 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 2026-02-10T11:42:51,256 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 2026-02-10T11:42:51,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,270 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 2026-02-10T11:42:51,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,278 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 2026-02-10T11:42:51,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30 2026-02-10T11:42:51,284 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:51,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:51,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:51,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:51,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:51,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4 2026-02-10T11:42:51,297 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,338 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38 2026-02-10T11:42:51,375 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11 2026-02-10T11:42:51,407 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,425 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13 2026-02-10T11:42:51,455 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,480 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,512 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 2026-02-10T11:42:51,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,540 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 2026-02-10T11:42:51,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,548 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,569 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG 2026-02-10T11:42:51,571 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 2026-02-10T11:42:51,574 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,576 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,636 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22 2026-02-10T11:42:51,680 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:51,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:51,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:51,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:51,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4 2026-02-10T11:42:51,693 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,820 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22 2026-02-10T11:42:51,832 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20 2026-02-10T11:42:51,964 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW30 2026-02-10T11:42:51,965 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 2026-02-10T11:42:51,968 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 2026-02-10T11:42:51,970 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 2026-02-10T11:42:51,973 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 2026-02-10T11:42:51,975 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 2026-02-10T11:42:51,978 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 2026-02-10T11:42:51,980 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 2026-02-10T11:42:51,982 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 2026-02-10T11:42:51,985 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 2026-02-10T11:42:51,987 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 2026-02-10T11:42:51,989 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 2026-02-10T11:42:51,991 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 2026-02-10T11:42:51,993 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 2026-02-10T11:42:51,995 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 2026-02-10T11:42:51,997 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 2026-02-10T11:42:51,999 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 2026-02-10T11:42:52,001 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 2026-02-10T11:42:52,003 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 2026-02-10T11:42:52,004 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 2026-02-10T11:42:52,006 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 2026-02-10T11:42:52,008 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 2026-02-10T11:42:52,011 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 2026-02-10T11:42:52,013 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 2026-02-10T11:42:52,015 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 2026-02-10T11:42:52,017 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 2026-02-10T11:42:52,019 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 2026-02-10T11:42:52,021 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 2026-02-10T11:42:52,023 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 2026-02-10T11:42:52,024 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 2026-02-10T11:42:52,026 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 2026-02-10T11:42:52,028 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 2026-02-10T11:42:52,030 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 2026-02-10T11:42:52,031 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 2026-02-10T11:42:52,033 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 2026-02-10T11:42:52,036 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 2026-02-10T11:42:52,038 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 2026-02-10T11:42:52,040 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 2026-02-10T11:42:52,042 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 2026-02-10T11:42:52,044 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 2026-02-10T11:42:52,046 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 2026-02-10T11:42:52,048 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 2026-02-10T11:42:52,049 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 2026-02-10T11:42:52,051 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 2026-02-10T11:42:52,054 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 2026-02-10T11:42:52,055 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 2026-02-10T11:42:52,057 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 2026-02-10T11:42:52,059 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 2026-02-10T11:42:52,061 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 2026-02-10T11:42:52,063 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 2026-02-10T11:42:52,065 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 2026-02-10T11:42:52,067 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 2026-02-10T11:42:52,069 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 2026-02-10T11:42:52,070 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 2026-02-10T11:42:52,072 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 2026-02-10T11:42:52,074 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 2026-02-10T11:42:52,076 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 2026-02-10T11:42:52,078 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 2026-02-10T11:42:52,080 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 2026-02-10T11:42:52,082 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 2026-02-10T11:42:52,084 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 2026-02-10T11:42:52,085 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 2026-02-10T11:42:52,087 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 2026-02-10T11:42:52,089 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 2026-02-10T11:42:52,091 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 2026-02-10T11:42:52,092 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 2026-02-10T11:42:52,094 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 2026-02-10T11:42:52,096 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 2026-02-10T11:42:52,098 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 2026-02-10T11:42:52,101 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 2026-02-10T11:42:52,102 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 2026-02-10T11:42:52,104 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 2026-02-10T11:42:52,106 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 2026-02-10T11:42:52,108 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 2026-02-10T11:42:52,110 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 2026-02-10T11:42:52,112 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 2026-02-10T11:42:52,114 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 2026-02-10T11:42:52,116 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 2026-02-10T11:42:52,118 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 2026-02-10T11:42:52,120 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 2026-02-10T11:42:52,122 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 2026-02-10T11:42:52,124 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 2026-02-10T11:42:52,126 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 2026-02-10T11:42:52,127 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 2026-02-10T11:42:52,129 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 2026-02-10T11:42:52,131 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 2026-02-10T11:42:52,133 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 2026-02-10T11:42:52,135 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 2026-02-10T11:42:52,137 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 2026-02-10T11:42:52,139 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 2026-02-10T11:42:52,141 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 2026-02-10T11:42:52,152 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:42:52,153 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 2026-02-10T11:42:52,155 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 2026-02-10T11:42:52,156 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 2026-02-10T11:42:52,158 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 2026-02-10T11:42:52,160 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 2026-02-10T11:42:52,162 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 2026-02-10T11:42:52,164 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 2026-02-10T11:42:52,167 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 2026-02-10T11:42:52,169 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 2026-02-10T11:42:52,171 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 2026-02-10T11:42:52,173 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 2026-02-10T11:42:52,175 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 2026-02-10T11:42:52,177 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 2026-02-10T11:42:52,179 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 2026-02-10T11:42:52,181 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 2026-02-10T11:42:52,183 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 2026-02-10T11:42:52,185 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 2026-02-10T11:42:52,187 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 2026-02-10T11:42:52,189 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 2026-02-10T11:42:52,191 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 2026-02-10T11:42:52,194 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 2026-02-10T11:42:52,196 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 2026-02-10T11:42:52,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:42:52,199 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 2026-02-10T11:42:52,201 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 2026-02-10T11:42:52,203 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 2026-02-10T11:42:52,205 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 2026-02-10T11:42:52,207 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 2026-02-10T11:42:52,210 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 2026-02-10T11:42:52,211 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 2026-02-10T11:42:52,213 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 2026-02-10T11:42:52,215 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 2026-02-10T11:42:52,217 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 2026-02-10T11:42:52,219 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 2026-02-10T11:42:52,220 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 2026-02-10T11:42:52,222 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 2026-02-10T11:42:52,224 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 2026-02-10T11:42:52,227 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 2026-02-10T11:42:52,229 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 2026-02-10T11:42:52,231 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 2026-02-10T11:42:52,233 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 2026-02-10T11:42:52,235 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 2026-02-10T11:42:52,237 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 2026-02-10T11:42:52,239 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 2026-02-10T11:42:52,240 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 2026-02-10T11:42:52,242 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 2026-02-10T11:42:52,245 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 2026-02-10T11:42:52,246 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 2026-02-10T11:42:52,249 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 2026-02-10T11:42:52,250 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 2026-02-10T11:42:52,252 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 2026-02-10T11:42:52,254 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 2026-02-10T11:42:52,255 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 2026-02-10T11:42:52,257 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 2026-02-10T11:42:52,259 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 2026-02-10T11:42:52,261 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 2026-02-10T11:42:52,263 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 2026-02-10T11:42:52,265 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 2026-02-10T11:42:52,267 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 2026-02-10T11:42:52,269 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 2026-02-10T11:42:52,271 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 2026-02-10T11:42:52,273 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 2026-02-10T11:42:52,275 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 2026-02-10T11:42:52,277 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 2026-02-10T11:42:52,280 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 2026-02-10T11:42:52,281 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 2026-02-10T11:42:52,284 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 2026-02-10T11:42:52,285 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 2026-02-10T11:42:52,287 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 2026-02-10T11:42:52,289 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 2026-02-10T11:42:52,291 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 2026-02-10T11:42:52,293 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 2026-02-10T11:42:52,295 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 2026-02-10T11:42:52,297 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 2026-02-10T11:42:52,299 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 2026-02-10T11:42:52,301 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 2026-02-10T11:42:52,303 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 2026-02-10T11:42:52,304 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 2026-02-10T11:42:52,306 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 2026-02-10T11:42:52,308 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 2026-02-10T11:42:52,310 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 2026-02-10T11:42:52,312 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 2026-02-10T11:42:52,314 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 2026-02-10T11:42:52,316 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 2026-02-10T11:42:52,318 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 2026-02-10T11:42:52,320 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 2026-02-10T11:42:52,322 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 2026-02-10T11:42:52,324 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 2026-02-10T11:42:52,326 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 2026-02-10T11:42:52,328 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 2026-02-10T11:42:52,330 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 2026-02-10T11:42:52,332 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 2026-02-10T11:42:52,334 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 2026-02-10T11:42:52,335 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 2026-02-10T11:42:52,337 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 2026-02-10T11:42:52,339 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 2026-02-10T11:42:52,341 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 2026-02-10T11:42:52,343 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 2026-02-10T11:42:52,345 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 2026-02-10T11:42:52,347 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 2026-02-10T11:42:52,349 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 2026-02-10T11:42:52,350 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 2026-02-10T11:42:52,352 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 2026-02-10T11:42:52,354 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 2026-02-10T11:42:52,356 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 2026-02-10T11:42:52,358 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 2026-02-10T11:42:52,360 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 2026-02-10T11:42:52,362 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 2026-02-10T11:42:52,364 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 2026-02-10T11:42:52,366 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 2026-02-10T11:42:52,368 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 2026-02-10T11:42:52,370 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 2026-02-10T11:42:52,371 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 2026-02-10T11:42:52,373 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 2026-02-10T11:42:52,375 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 2026-02-10T11:42:52,377 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 2026-02-10T11:42:52,379 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 2026-02-10T11:42:52,381 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 2026-02-10T11:42:52,384 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 2026-02-10T11:42:52,385 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 2026-02-10T11:42:52,387 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 2026-02-10T11:42:52,389 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 2026-02-10T11:42:52,391 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 2026-02-10T11:42:52,393 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 2026-02-10T11:42:52,395 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 2026-02-10T11:42:52,397 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 2026-02-10T11:42:52,400 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 2026-02-10T11:42:52,401 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 2026-02-10T11:42:52,403 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 2026-02-10T11:42:52,405 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 2026-02-10T11:42:52,407 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 2026-02-10T11:42:52,409 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 2026-02-10T11:42:52,410 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 2026-02-10T11:42:52,412 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 2026-02-10T11:42:52,414 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 2026-02-10T11:42:52,416 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 2026-02-10T11:42:52,418 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 2026-02-10T11:42:52,420 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 2026-02-10T11:42:52,422 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 2026-02-10T11:42:52,424 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 2026-02-10T11:42:52,426 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 2026-02-10T11:42:52,428 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 2026-02-10T11:42:52,431 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 2026-02-10T11:42:52,432 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 2026-02-10T11:42:52,434 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 2026-02-10T11:42:52,436 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 2026-02-10T11:42:52,439 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 2026-02-10T11:42:52,441 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 2026-02-10T11:42:52,443 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 2026-02-10T11:42:52,444 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 2026-02-10T11:42:52,446 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 2026-02-10T11:42:52,448 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 2026-02-10T11:42:52,450 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 2026-02-10T11:42:52,452 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 2026-02-10T11:42:52,454 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 2026-02-10T11:42:52,456 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 2026-02-10T11:42:52,458 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 2026-02-10T11:42:52,460 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 2026-02-10T11:42:52,463 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 2026-02-10T11:42:52,465 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 2026-02-10T11:42:52,466 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 2026-02-10T11:42:52,469 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 2026-02-10T11:42:52,471 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 2026-02-10T11:42:52,473 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 2026-02-10T11:42:52,474 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 2026-02-10T11:42:52,476 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 2026-02-10T11:42:52,478 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 2026-02-10T11:42:52,480 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 2026-02-10T11:42:52,481 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 2026-02-10T11:42:52,483 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 2026-02-10T11:42:52,485 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 2026-02-10T11:42:52,487 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 2026-02-10T11:42:52,489 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 2026-02-10T11:42:52,491 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 2026-02-10T11:42:52,493 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 2026-02-10T11:42:52,495 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 2026-02-10T11:42:52,497 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 2026-02-10T11:42:52,500 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 2026-02-10T11:42:52,502 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 2026-02-10T11:42:52,504 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 2026-02-10T11:42:52,506 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 2026-02-10T11:42:52,509 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 2026-02-10T11:42:52,511 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 2026-02-10T11:42:52,513 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 2026-02-10T11:42:52,514 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 2026-02-10T11:42:52,516 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 2026-02-10T11:42:52,518 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 2026-02-10T11:42:52,519 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 2026-02-10T11:42:52,521 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 2026-02-10T11:42:52,523 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 2026-02-10T11:42:52,525 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 2026-02-10T11:42:52,526 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 2026-02-10T11:42:52,528 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 2026-02-10T11:42:52,530 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 2026-02-10T11:42:52,532 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 2026-02-10T11:42:52,534 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 2026-02-10T11:42:52,536 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 2026-02-10T11:42:52,539 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 2026-02-10T11:42:52,540 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 2026-02-10T11:42:52,542 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 2026-02-10T11:42:52,544 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 2026-02-10T11:42:52,546 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 2026-02-10T11:42:52,549 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 2026-02-10T11:42:52,551 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 2026-02-10T11:42:52,553 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 2026-02-10T11:42:52,555 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 2026-02-10T11:42:52,557 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 2026-02-10T11:42:52,559 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 2026-02-10T11:42:52,561 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 2026-02-10T11:42:52,563 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 2026-02-10T11:42:52,565 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 2026-02-10T11:42:52,567 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 2026-02-10T11:42:52,569 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 2026-02-10T11:42:52,571 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 2026-02-10T11:42:52,574 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 2026-02-10T11:42:52,576 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 2026-02-10T11:42:52,579 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 2026-02-10T11:42:52,581 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 2026-02-10T11:42:52,584 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 2026-02-10T11:42:52,586 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 2026-02-10T11:42:52,588 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 2026-02-10T11:42:52,590 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 2026-02-10T11:42:52,592 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 2026-02-10T11:42:52,594 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 2026-02-10T11:42:52,596 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 2026-02-10T11:42:52,598 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 2026-02-10T11:42:52,600 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 2026-02-10T11:42:52,603 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 2026-02-10T11:42:52,606 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 2026-02-10T11:42:52,608 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 2026-02-10T11:42:52,610 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 2026-02-10T11:42:52,612 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 2026-02-10T11:42:52,614 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 2026-02-10T11:42:52,616 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 2026-02-10T11:42:52,618 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 2026-02-10T11:42:52,621 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 2026-02-10T11:42:52,623 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 2026-02-10T11:42:52,625 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 2026-02-10T11:42:52,627 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 2026-02-10T11:42:52,630 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 2026-02-10T11:42:52,632 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 2026-02-10T11:42:52,635 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 2026-02-10T11:42:52,637 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 2026-02-10T11:42:52,639 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 2026-02-10T11:42:52,641 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 2026-02-10T11:42:52,644 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 2026-02-10T11:42:52,647 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 2026-02-10T11:42:52,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:42:52,652 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 2026-02-10T11:42:52,654 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 2026-02-10T11:42:52,657 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 2026-02-10T11:42:52,659 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 2026-02-10T11:42:52,661 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 2026-02-10T11:42:52,664 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 2026-02-10T11:42:52,667 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 2026-02-10T11:42:52,669 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 2026-02-10T11:42:52,671 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 2026-02-10T11:42:52,673 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 2026-02-10T11:42:52,676 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 2026-02-10T11:42:52,679 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 2026-02-10T11:42:52,681 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 2026-02-10T11:42:52,684 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 2026-02-10T11:42:52,686 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 2026-02-10T11:42:52,688 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 2026-02-10T11:42:52,690 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 2026-02-10T11:42:52,693 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 2026-02-10T11:42:52,696 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 2026-02-10T11:42:52,699 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 2026-02-10T11:42:52,702 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 2026-02-10T11:42:52,705 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 2026-02-10T11:42:52,709 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 2026-02-10T11:42:52,712 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 2026-02-10T11:42:52,715 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 2026-02-10T11:42:52,717 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 2026-02-10T11:42:52,720 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 2026-02-10T11:42:52,723 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 2026-02-10T11:42:52,726 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 2026-02-10T11:42:52,728 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 2026-02-10T11:42:52,731 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 2026-02-10T11:42:52,734 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 2026-02-10T11:42:52,737 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 2026-02-10T11:42:52,739 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 2026-02-10T11:42:52,742 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 2026-02-10T11:42:52,745 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 2026-02-10T11:42:52,748 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 2026-02-10T11:42:52,750 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 2026-02-10T11:42:52,752 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 2026-02-10T11:42:52,754 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 2026-02-10T11:42:52,757 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 2026-02-10T11:42:52,759 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 2026-02-10T11:42:52,762 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 2026-02-10T11:42:52,764 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 2026-02-10T11:42:52,766 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 2026-02-10T11:42:52,768 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 2026-02-10T11:42:52,771 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 2026-02-10T11:42:52,773 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 2026-02-10T11:42:52,775 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 2026-02-10T11:42:52,778 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 2026-02-10T11:42:52,780 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 2026-02-10T11:42:52,782 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 2026-02-10T11:42:52,784 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 2026-02-10T11:42:52,787 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 2026-02-10T11:42:52,789 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 2026-02-10T11:42:52,791 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 2026-02-10T11:42:52,794 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 2026-02-10T11:42:52,796 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 2026-02-10T11:42:52,799 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 2026-02-10T11:42:52,802 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 2026-02-10T11:42:52,804 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 2026-02-10T11:42:52,807 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 2026-02-10T11:42:52,809 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 2026-02-10T11:42:52,812 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 2026-02-10T11:42:52,815 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 2026-02-10T11:42:52,818 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 2026-02-10T11:42:52,820 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 2026-02-10T11:42:52,823 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 2026-02-10T11:42:52,827 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 2026-02-10T11:42:52,830 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 2026-02-10T11:42:52,833 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 2026-02-10T11:42:52,835 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 2026-02-10T11:42:52,838 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 2026-02-10T11:42:52,840 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 2026-02-10T11:42:52,843 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 2026-02-10T11:42:52,845 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 2026-02-10T11:42:52,847 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 2026-02-10T11:42:52,849 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 2026-02-10T11:42:52,852 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 2026-02-10T11:42:52,854 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 2026-02-10T11:42:52,856 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 2026-02-10T11:42:52,859 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 2026-02-10T11:42:52,862 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 2026-02-10T11:42:52,864 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 2026-02-10T11:42:52,867 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 2026-02-10T11:42:52,870 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 2026-02-10T11:42:52,872 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 2026-02-10T11:42:52,875 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 2026-02-10T11:42:52,877 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 2026-02-10T11:42:52,880 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 2026-02-10T11:42:52,883 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 2026-02-10T11:42:52,885 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 2026-02-10T11:42:52,887 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 2026-02-10T11:42:52,890 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 2026-02-10T11:42:52,892 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 2026-02-10T11:42:52,895 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 2026-02-10T11:42:52,897 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 2026-02-10T11:42:52,899 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 2026-02-10T11:42:52,901 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 2026-02-10T11:42:52,903 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 2026-02-10T11:42:52,905 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 2026-02-10T11:42:52,907 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 2026-02-10T11:42:52,910 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 2026-02-10T11:42:52,912 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 2026-02-10T11:42:52,913 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 2026-02-10T11:42:52,916 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 2026-02-10T11:42:52,918 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 2026-02-10T11:42:52,920 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 2026-02-10T11:42:52,922 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 2026-02-10T11:42:52,923 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 2026-02-10T11:42:52,926 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 2026-02-10T11:42:52,928 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 2026-02-10T11:42:52,930 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 2026-02-10T11:42:52,932 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 2026-02-10T11:42:52,935 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 2026-02-10T11:42:52,937 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 2026-02-10T11:42:52,939 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 2026-02-10T11:42:52,941 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 2026-02-10T11:42:52,943 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 2026-02-10T11:42:52,945 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 2026-02-10T11:42:52,947 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 2026-02-10T11:42:52,949 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 2026-02-10T11:42:52,951 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 2026-02-10T11:42:52,953 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 2026-02-10T11:42:52,955 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 2026-02-10T11:42:52,957 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 2026-02-10T11:42:52,959 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 2026-02-10T11:42:52,960 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 2026-02-10T11:42:52,962 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 2026-02-10T11:42:52,964 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 2026-02-10T11:42:52,966 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 2026-02-10T11:42:52,968 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 2026-02-10T11:42:52,970 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 2026-02-10T11:42:52,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM 2026-02-10T11:42:52,973 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 2026-02-10T11:42:52,975 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 2026-02-10T11:42:52,976 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 2026-02-10T11:42:52,979 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 2026-02-10T11:42:52,980 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 2026-02-10T11:42:52,982 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 2026-02-10T11:42:52,984 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 2026-02-10T11:42:52,986 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 2026-02-10T11:42:52,988 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 2026-02-10T11:42:52,990 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 2026-02-10T11:42:52,991 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 2026-02-10T11:42:52,993 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 2026-02-10T11:42:52,995 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 2026-02-10T11:42:52,997 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 2026-02-10T11:42:52,998 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 2026-02-10T11:42:53,000 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 2026-02-10T11:42:53,002 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 2026-02-10T11:42:53,004 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 2026-02-10T11:42:53,006 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 2026-02-10T11:42:53,008 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 2026-02-10T11:42:53,010 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 2026-02-10T11:42:53,012 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 2026-02-10T11:42:53,014 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 2026-02-10T11:42:53,016 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 2026-02-10T11:42:53,019 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 2026-02-10T11:42:53,021 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 2026-02-10T11:42:53,022 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 2026-02-10T11:42:53,024 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 2026-02-10T11:42:53,026 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 2026-02-10T11:42:53,028 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 2026-02-10T11:42:53,030 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 2026-02-10T11:42:53,031 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 2026-02-10T11:42:53,033 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:53,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:53,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:53,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:53,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:53,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5 2026-02-10T11:42:53,045 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,059 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345 2026-02-10T11:42:53,112 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,168 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,202 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52 2026-02-10T11:42:53,220 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:42:53,222 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 2026-02-10T11:42:53,224 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 2026-02-10T11:42:53,226 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 2026-02-10T11:42:53,228 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 2026-02-10T11:42:53,229 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 2026-02-10T11:42:53,231 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 2026-02-10T11:42:53,233 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 2026-02-10T11:42:53,235 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 2026-02-10T11:42:53,237 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 2026-02-10T11:42:53,239 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 2026-02-10T11:42:53,241 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 2026-02-10T11:42:53,243 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 2026-02-10T11:42:53,245 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 2026-02-10T11:42:53,247 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 2026-02-10T11:42:53,249 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 2026-02-10T11:42:53,251 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 2026-02-10T11:42:53,253 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 2026-02-10T11:42:53,255 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 2026-02-10T11:42:53,257 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 2026-02-10T11:42:53,259 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 2026-02-10T11:42:53,261 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 2026-02-10T11:42:53,263 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 2026-02-10T11:42:53,265 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 2026-02-10T11:42:53,267 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 2026-02-10T11:42:53,269 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 2026-02-10T11:42:53,271 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 2026-02-10T11:42:53,273 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 2026-02-10T11:42:53,275 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 2026-02-10T11:42:53,277 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 2026-02-10T11:42:53,279 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 2026-02-10T11:42:53,281 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 2026-02-10T11:42:53,283 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 2026-02-10T11:42:53,285 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 2026-02-10T11:42:53,287 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 2026-02-10T11:42:53,288 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 2026-02-10T11:42:53,290 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 2026-02-10T11:42:53,292 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 2026-02-10T11:42:53,294 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 2026-02-10T11:42:53,296 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 2026-02-10T11:42:53,298 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 2026-02-10T11:42:53,299 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 2026-02-10T11:42:53,301 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 2026-02-10T11:42:53,304 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 2026-02-10T11:42:53,306 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 2026-02-10T11:42:53,307 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 2026-02-10T11:42:53,310 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 2026-02-10T11:42:53,312 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 2026-02-10T11:42:53,314 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 2026-02-10T11:42:53,316 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 2026-02-10T11:42:53,319 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 2026-02-10T11:42:53,321 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 2026-02-10T11:42:53,323 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 2026-02-10T11:42:53,324 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 2026-02-10T11:42:53,327 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 2026-02-10T11:42:53,329 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 2026-02-10T11:42:53,331 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 2026-02-10T11:42:53,333 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 2026-02-10T11:42:53,335 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 2026-02-10T11:42:53,336 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 2026-02-10T11:42:53,339 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 2026-02-10T11:42:53,341 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 2026-02-10T11:42:53,342 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 2026-02-10T11:42:53,345 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 2026-02-10T11:42:53,347 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 2026-02-10T11:42:53,349 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 2026-02-10T11:42:53,351 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 2026-02-10T11:42:53,353 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 2026-02-10T11:42:53,355 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 2026-02-10T11:42:53,357 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 2026-02-10T11:42:53,358 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 2026-02-10T11:42:53,360 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 2026-02-10T11:42:53,363 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 2026-02-10T11:42:53,364 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 2026-02-10T11:42:53,366 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 2026-02-10T11:42:53,368 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 2026-02-10T11:42:53,370 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 2026-02-10T11:42:53,372 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 2026-02-10T11:42:53,374 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 2026-02-10T11:42:53,376 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 2026-02-10T11:42:53,378 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 2026-02-10T11:42:53,380 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 2026-02-10T11:42:53,382 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 2026-02-10T11:42:53,384 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 2026-02-10T11:42:53,386 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 2026-02-10T11:42:53,388 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 2026-02-10T11:42:53,390 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 2026-02-10T11:42:53,391 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 2026-02-10T11:42:53,393 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 2026-02-10T11:42:53,395 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 2026-02-10T11:42:53,397 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 2026-02-10T11:42:53,399 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 2026-02-10T11:42:53,401 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 2026-02-10T11:42:53,404 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 2026-02-10T11:42:53,406 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 2026-02-10T11:42:53,408 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 2026-02-10T11:42:53,411 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 2026-02-10T11:42:53,412 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 2026-02-10T11:42:53,414 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 2026-02-10T11:42:53,416 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 2026-02-10T11:42:53,419 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 2026-02-10T11:42:53,421 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 2026-02-10T11:42:53,423 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 2026-02-10T11:42:53,426 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 2026-02-10T11:42:53,428 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 2026-02-10T11:42:53,430 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 2026-02-10T11:42:53,432 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 2026-02-10T11:42:53,434 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 2026-02-10T11:42:53,436 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 2026-02-10T11:42:53,438 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 2026-02-10T11:42:53,439 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 2026-02-10T11:42:53,441 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 2026-02-10T11:42:53,443 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 2026-02-10T11:42:53,445 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 2026-02-10T11:42:53,448 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 2026-02-10T11:42:53,450 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 2026-02-10T11:42:53,452 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 2026-02-10T11:42:53,455 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 2026-02-10T11:42:53,457 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 2026-02-10T11:42:53,459 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 2026-02-10T11:42:53,461 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 2026-02-10T11:42:53,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:42:53,465 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 2026-02-10T11:42:53,467 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 2026-02-10T11:42:53,469 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 2026-02-10T11:42:53,471 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 2026-02-10T11:42:53,473 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 2026-02-10T11:42:53,475 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 2026-02-10T11:42:53,477 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 2026-02-10T11:42:53,479 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 2026-02-10T11:42:53,482 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 2026-02-10T11:42:53,484 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 2026-02-10T11:42:53,486 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 2026-02-10T11:42:53,488 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 2026-02-10T11:42:53,490 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 2026-02-10T11:42:53,492 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 2026-02-10T11:42:53,494 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 2026-02-10T11:42:53,496 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 2026-02-10T11:42:53,499 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 2026-02-10T11:42:53,501 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 2026-02-10T11:42:53,502 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 2026-02-10T11:42:53,504 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 2026-02-10T11:42:53,506 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 2026-02-10T11:42:53,508 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 2026-02-10T11:42:53,510 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 2026-02-10T11:42:53,512 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 2026-02-10T11:42:53,513 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 2026-02-10T11:42:53,515 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 2026-02-10T11:42:53,517 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 2026-02-10T11:42:53,519 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 2026-02-10T11:42:53,521 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 2026-02-10T11:42:53,523 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 2026-02-10T11:42:53,526 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 2026-02-10T11:42:53,528 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 2026-02-10T11:42:53,530 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 2026-02-10T11:42:53,532 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 2026-02-10T11:42:53,534 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 2026-02-10T11:42:53,536 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 2026-02-10T11:42:53,538 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 2026-02-10T11:42:53,541 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 2026-02-10T11:42:53,543 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 2026-02-10T11:42:53,545 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 2026-02-10T11:42:53,547 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 2026-02-10T11:42:53,549 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 2026-02-10T11:42:53,551 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 2026-02-10T11:42:53,554 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 2026-02-10T11:42:53,555 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 2026-02-10T11:42:53,557 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 2026-02-10T11:42:53,560 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 2026-02-10T11:42:53,562 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 2026-02-10T11:42:53,564 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 2026-02-10T11:42:53,566 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 2026-02-10T11:42:53,568 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 2026-02-10T11:42:53,570 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 2026-02-10T11:42:53,572 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 2026-02-10T11:42:53,574 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 2026-02-10T11:42:53,576 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 2026-02-10T11:42:53,578 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 2026-02-10T11:42:53,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:42:53,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A21x12 2026-02-10T11:42:53,584 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 2026-02-10T11:42:53,587 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 2026-02-10T11:42:53,589 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 2026-02-10T11:42:53,591 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 2026-02-10T11:42:53,592 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 2026-02-10T11:42:53,595 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 2026-02-10T11:42:53,597 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 2026-02-10T11:42:53,599 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 2026-02-10T11:42:53,602 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 2026-02-10T11:42:53,604 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 2026-02-10T11:42:53,607 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 2026-02-10T11:42:53,610 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 2026-02-10T11:42:53,613 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 2026-02-10T11:42:53,615 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 2026-02-10T11:42:53,618 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 2026-02-10T11:42:53,620 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 2026-02-10T11:42:53,622 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 2026-02-10T11:42:53,624 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 2026-02-10T11:42:53,627 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 2026-02-10T11:42:53,629 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 2026-02-10T11:42:53,631 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 2026-02-10T11:42:53,634 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 2026-02-10T11:42:53,636 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 2026-02-10T11:42:53,639 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 2026-02-10T11:42:53,641 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 2026-02-10T11:42:53,643 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 2026-02-10T11:42:53,646 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 2026-02-10T11:42:53,648 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 2026-02-10T11:42:53,650 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 2026-02-10T11:42:53,653 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 2026-02-10T11:42:53,655 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 2026-02-10T11:42:53,657 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 2026-02-10T11:42:53,659 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 2026-02-10T11:42:53,662 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 2026-02-10T11:42:53,665 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 2026-02-10T11:42:53,667 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 2026-02-10T11:42:53,670 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 2026-02-10T11:42:53,672 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 2026-02-10T11:42:53,674 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 2026-02-10T11:42:53,677 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 2026-02-10T11:42:53,679 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 2026-02-10T11:42:53,682 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 2026-02-10T11:42:53,685 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 2026-02-10T11:42:53,688 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 2026-02-10T11:42:53,690 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 2026-02-10T11:42:53,692 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 2026-02-10T11:42:53,695 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 2026-02-10T11:42:53,697 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 2026-02-10T11:42:53,700 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 2026-02-10T11:42:53,702 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 2026-02-10T11:42:53,704 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 2026-02-10T11:42:53,706 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 2026-02-10T11:42:53,708 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 2026-02-10T11:42:53,711 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 2026-02-10T11:42:53,713 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 2026-02-10T11:42:53,715 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 2026-02-10T11:42:53,718 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 2026-02-10T11:42:53,721 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 2026-02-10T11:42:53,724 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 2026-02-10T11:42:53,726 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 2026-02-10T11:42:53,729 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 2026-02-10T11:42:53,731 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 2026-02-10T11:42:53,733 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 2026-02-10T11:42:53,735 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 2026-02-10T11:42:53,737 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 2026-02-10T11:42:53,739 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 2026-02-10T11:42:53,741 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 2026-02-10T11:42:53,744 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 2026-02-10T11:42:53,747 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 2026-02-10T11:42:53,749 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 2026-02-10T11:42:53,752 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 2026-02-10T11:42:53,755 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 2026-02-10T11:42:53,759 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 2026-02-10T11:42:53,761 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 2026-02-10T11:42:53,764 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 2026-02-10T11:42:53,766 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 2026-02-10T11:42:53,768 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 2026-02-10T11:42:53,770 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 2026-02-10T11:42:53,772 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 2026-02-10T11:42:53,774 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 2026-02-10T11:42:53,777 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 2026-02-10T11:42:53,779 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 2026-02-10T11:42:53,782 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 2026-02-10T11:42:53,784 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 2026-02-10T11:42:53,787 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 2026-02-10T11:42:53,789 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 2026-02-10T11:42:53,791 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 2026-02-10T11:42:53,793 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 2026-02-10T11:42:53,796 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 2026-02-10T11:42:53,798 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 2026-02-10T11:42:53,800 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 2026-02-10T11:42:53,802 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 2026-02-10T11:42:53,805 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 2026-02-10T11:42:53,807 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 2026-02-10T11:42:53,810 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 2026-02-10T11:42:53,812 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 2026-02-10T11:42:53,815 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 2026-02-10T11:42:53,817 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 2026-02-10T11:42:53,819 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 2026-02-10T11:42:53,822 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 2026-02-10T11:42:53,825 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 2026-02-10T11:42:53,827 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 2026-02-10T11:42:53,830 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 2026-02-10T11:42:53,833 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 2026-02-10T11:42:53,835 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 2026-02-10T11:42:53,837 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 2026-02-10T11:42:53,840 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 2026-02-10T11:42:53,842 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 2026-02-10T11:42:53,845 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 2026-02-10T11:42:53,847 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 2026-02-10T11:42:53,850 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 2026-02-10T11:42:53,852 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 2026-02-10T11:42:53,854 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 2026-02-10T11:42:53,856 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 2026-02-10T11:42:53,858 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 2026-02-10T11:42:53,866 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,924 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,956 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:53,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,096 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,122 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,140 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,211 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,236 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,284 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,291 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,317 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215 2026-02-10T11:42:54,350 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,397 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,399 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,404 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,416 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,418 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,420 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,437 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,439 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,478 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP 2026-02-10T11:42:54,494 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,514 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,518 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13 2026-02-10T11:42:54,529 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,571 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,608 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,611 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,613 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,624 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,629 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,658 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,700 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,716 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43 2026-02-10T11:42:54,785 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6 2026-02-10T11:42:54,787 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6 2026-02-10T11:42:54,810 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,813 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 2026-02-10T11:42:54,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,819 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 2026-02-10T11:42:54,821 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 2026-02-10T11:42:54,823 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 2026-02-10T11:42:54,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,827 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 2026-02-10T11:42:54,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,831 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 2026-02-10T11:42:54,832 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 2026-02-10T11:42:54,834 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 2026-02-10T11:42:54,836 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 2026-02-10T11:42:54,838 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 2026-02-10T11:42:54,840 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 2026-02-10T11:42:54,843 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 2026-02-10T11:42:54,845 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 2026-02-10T11:42:54,847 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,849 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 2026-02-10T11:42:54,851 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 2026-02-10T11:42:54,853 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 2026-02-10T11:42:54,856 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 2026-02-10T11:42:54,858 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 2026-02-10T11:42:54,860 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 2026-02-10T11:42:54,863 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 2026-02-10T11:42:54,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,867 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 2026-02-10T11:42:54,870 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 2026-02-10T11:42:54,872 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 2026-02-10T11:42:54,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,877 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 2026-02-10T11:42:54,880 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 2026-02-10T11:42:54,882 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 2026-02-10T11:42:54,884 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 2026-02-10T11:42:54,885 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 2026-02-10T11:42:54,887 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 2026-02-10T11:42:54,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,893 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 2026-02-10T11:42:54,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14 2026-02-10T11:42:54,910 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,911 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 2026-02-10T11:42:54,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,920 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 2026-02-10T11:42:54,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,927 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 2026-02-10T11:42:54,929 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 2026-02-10T11:42:54,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,934 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 2026-02-10T11:42:54,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,943 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 2026-02-10T11:42:54,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,946 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 2026-02-10T11:42:54,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,957 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 2026-02-10T11:42:54,959 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 2026-02-10T11:42:54,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,966 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 2026-02-10T11:42:54,969 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 2026-02-10T11:42:54,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,984 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 2026-02-10T11:42:54,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,991 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 2026-02-10T11:42:54,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:54,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,000 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 2026-02-10T11:42:55,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,004 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 2026-02-10T11:42:55,005 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 2026-02-10T11:42:55,007 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 2026-02-10T11:42:55,009 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 2026-02-10T11:42:55,011 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 2026-02-10T11:42:55,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,015 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,032 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 2026-02-10T11:42:55,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,035 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 2026-02-10T11:42:55,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,041 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 2026-02-10T11:42:55,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,054 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 2026-02-10T11:42:55,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,059 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 2026-02-10T11:42:55,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,065 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 2026-02-10T11:42:55,067 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 2026-02-10T11:42:55,069 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 2026-02-10T11:42:55,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,073 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,084 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 2026-02-10T11:42:55,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,091 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 2026-02-10T11:42:55,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,099 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 2026-02-10T11:42:55,101 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 2026-02-10T11:42:55,103 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 2026-02-10T11:42:55,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,110 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 2026-02-10T11:42:55,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,119 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 2026-02-10T11:42:55,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,134 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 2026-02-10T11:42:55,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,138 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 2026-02-10T11:42:55,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,143 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 2026-02-10T11:42:55,145 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 2026-02-10T11:42:55,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,154 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 2026-02-10T11:42:55,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,162 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 2026-02-10T11:42:55,165 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 2026-02-10T11:42:55,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,188 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,198 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 2026-02-10T11:42:55,201 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 2026-02-10T11:42:55,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,205 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 2026-02-10T11:42:55,207 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 2026-02-10T11:42:55,210 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 2026-02-10T11:42:55,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,214 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 2026-02-10T11:42:55,216 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 2026-02-10T11:42:55,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,221 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 2026-02-10T11:42:55,223 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 2026-02-10T11:42:55,225 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 2026-02-10T11:42:55,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,238 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,240 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 2026-02-10T11:42:55,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,243 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 2026-02-10T11:42:55,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,248 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 2026-02-10T11:42:55,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,262 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 2026-02-10T11:42:55,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,285 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 2026-02-10T11:42:55,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,296 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,298 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,300 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,315 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,317 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 2026-02-10T11:42:55,319 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 2026-02-10T11:42:55,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,329 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 2026-02-10T11:42:55,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,333 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 2026-02-10T11:42:55,336 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,338 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 2026-02-10T11:42:55,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,351 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 2026-02-10T11:42:55,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,356 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 2026-02-10T11:42:55,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,363 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,366 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 2026-02-10T11:42:55,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,383 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 2026-02-10T11:42:55,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,392 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,394 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,398 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 2026-02-10T11:42:55,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,403 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 2026-02-10T11:42:55,405 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 2026-02-10T11:42:55,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,411 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,412 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 2026-02-10T11:42:55,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,419 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 2026-02-10T11:42:55,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,423 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,425 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 2026-02-10T11:42:55,427 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 2026-02-10T11:42:55,429 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 2026-02-10T11:42:55,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,460 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 2026-02-10T11:42:55,462 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 2026-02-10T11:42:55,464 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 2026-02-10T11:42:55,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,470 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 2026-02-10T11:42:55,472 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 2026-02-10T11:42:55,474 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 2026-02-10T11:42:55,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,477 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 2026-02-10T11:42:55,479 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 2026-02-10T11:42:55,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,483 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 2026-02-10T11:42:55,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,497 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 2026-02-10T11:42:55,500 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 2026-02-10T11:42:55,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,504 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 2026-02-10T11:42:55,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,508 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 2026-02-10T11:42:55,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,517 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 2026-02-10T11:42:55,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,527 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 2026-02-10T11:42:55,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,532 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 2026-02-10T11:42:55,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,548 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 2026-02-10T11:42:55,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,558 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 2026-02-10T11:42:55,560 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 2026-02-10T11:42:55,563 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 2026-02-10T11:42:55,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,571 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 2026-02-10T11:42:55,573 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 2026-02-10T11:42:55,575 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 2026-02-10T11:42:55,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,581 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 2026-02-10T11:42:55,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,586 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 2026-02-10T11:42:55,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,596 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 2026-02-10T11:42:55,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,602 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 2026-02-10T11:42:55,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,615 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 2026-02-10T11:42:55,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,625 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 2026-02-10T11:42:55,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,633 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 2026-02-10T11:42:55,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,639 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,646 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 2026-02-10T11:42:55,648 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 2026-02-10T11:42:55,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,660 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 2026-02-10T11:42:55,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,664 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 2026-02-10T11:42:55,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,669 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 2026-02-10T11:42:55,672 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 2026-02-10T11:42:55,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,681 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 2026-02-10T11:42:55,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,687 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 2026-02-10T11:42:55,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,691 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 2026-02-10T11:42:55,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,705 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 2026-02-10T11:42:55,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,709 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,716 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 2026-02-10T11:42:55,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,723 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 2026-02-10T11:42:55,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,729 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 2026-02-10T11:42:55,730 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,734 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 2026-02-10T11:42:55,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,741 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 2026-02-10T11:42:55,743 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 2026-02-10T11:42:55,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,749 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 2026-02-10T11:42:55,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,759 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 2026-02-10T11:42:55,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,770 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 2026-02-10T11:42:55,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,777 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 2026-02-10T11:42:55,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,785 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 2026-02-10T11:42:55,786 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 2026-02-10T11:42:55,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,805 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 2026-02-10T11:42:55,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,811 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 2026-02-10T11:42:55,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,817 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 2026-02-10T11:42:55,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,821 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 2026-02-10T11:42:55,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,836 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 2026-02-10T11:42:55,838 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,840 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 2026-02-10T11:42:55,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,850 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 2026-02-10T11:42:55,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,856 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 2026-02-10T11:42:55,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,860 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,862 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 2026-02-10T11:42:55,864 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 2026-02-10T11:42:55,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,867 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 2026-02-10T11:42:55,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,871 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 2026-02-10T11:42:55,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,875 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 2026-02-10T11:42:55,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,894 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 2026-02-10T11:42:55,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,898 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 2026-02-10T11:42:55,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,902 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 2026-02-10T11:42:55,904 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 2026-02-10T11:42:55,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,907 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 2026-02-10T11:42:55,909 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,911 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 2026-02-10T11:42:55,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,919 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 2026-02-10T11:42:55,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough 2026-02-10T11:42:55,925 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,928 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,944 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,948 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,952 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,954 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,959 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,971 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:55,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,033 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,035 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,037 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,047 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,049 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49 2026-02-10T11:42:56,060 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,063 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,065 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,071 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,082 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,084 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,092 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,108 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,113 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,133 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45 2026-02-10T11:42:56,149 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,157 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,159 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,180 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,186 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,193 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,195 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,269 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,271 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24 2026-02-10T11:42:56,286 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,287 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,294 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,302 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,322 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC 2026-02-10T11:42:56,325 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,329 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,331 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,333 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 2026-02-10T11:42:56,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,337 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 2026-02-10T11:42:56,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,343 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,345 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 2026-02-10T11:42:56,347 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 2026-02-10T11:42:56,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,352 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,354 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,356 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 2026-02-10T11:42:56,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,361 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,366 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,372 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,390 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,400 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 2026-02-10T11:42:56,402 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,405 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 2026-02-10T11:42:56,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12 2026-02-10T11:42:56,411 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,412 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,414 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,427 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,429 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,431 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,441 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,443 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,445 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,448 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,450 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,452 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,456 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,458 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,482 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38 2026-02-10T11:42:56,485 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,489 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,491 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,532 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,534 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,536 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,552 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,559 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,561 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38 2026-02-10T11:42:56,569 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,573 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,620 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,631 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24 2026-02-10T11:42:56,644 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,672 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,686 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,688 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345 2026-02-10T11:42:56,707 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,744 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,749 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13 2026-02-10T11:42:56,758 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,761 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,800 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20 2026-02-10T11:42:56,804 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,809 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,811 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,825 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,830 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,832 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,836 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,851 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,854 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,856 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,858 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,865 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,867 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,869 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,872 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,876 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA 2026-02-10T11:42:56,897 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,912 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,914 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,916 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,918 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6 2026-02-10T11:42:56,932 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,933 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,937 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,940 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,942 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,963 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,965 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,974 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 2026-02-10T11:42:56,976 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,978 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,980 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,986 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,988 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,995 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:56,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,001 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,003 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,005 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,017 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,019 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,023 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,025 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,027 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26 2026-02-10T11:42:57,033 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,039 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,061 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,077 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,094 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,106 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,109 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,111 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,116 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15 2026-02-10T11:42:57,125 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,131 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,142 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,144 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,155 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,182 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,184 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,190 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,215 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,217 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,219 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,246 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,248 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,250 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,261 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,263 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,273 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,275 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,282 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,309 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,311 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,313 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,320 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,341 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707 2026-02-10T11:42:57,344 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,345 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,347 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,365 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,368 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,370 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,373 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,375 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,377 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,379 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,381 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,383 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,385 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,387 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,389 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,395 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,400 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,405 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,407 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,409 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F 2026-02-10T11:42:57,421 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,422 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,433 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,435 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,447 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,454 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,502 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,504 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,506 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,521 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,523 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,527 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,529 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,531 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,537 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,540 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,542 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,545 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,554 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,556 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,564 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,566 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,577 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,579 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,581 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,584 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,586 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,588 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,593 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,601 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,603 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,605 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,610 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,622 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,625 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,627 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,634 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,641 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,644 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,649 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,651 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,654 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,656 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,661 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,667 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,669 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,674 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,676 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,678 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,680 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,696 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,698 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,721 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,723 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,725 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,727 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,732 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,738 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,742 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,747 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,752 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,755 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,758 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,763 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,765 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,768 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,770 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,776 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,778 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,780 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,782 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,789 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,791 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,793 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,796 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,798 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,804 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,815 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,822 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,824 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,834 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,840 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,846 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,853 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,881 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,887 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,905 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,907 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,920 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,922 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,926 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,929 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,931 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,934 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,938 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,945 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,947 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,950 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,958 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,962 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,967 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,969 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,972 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,974 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,982 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,984 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,990 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,992 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,994 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,997 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:57,999 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,007 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,009 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,011 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,013 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,021 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,029 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,031 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,041 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,043 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,045 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,051 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,053 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,055 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,057 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,067 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,069 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,076 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,079 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,081 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,086 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,088 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,090 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,098 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,100 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,102 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,104 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,114 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,117 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,119 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,121 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,124 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,126 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,128 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,130 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,134 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,136 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,145 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,147 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,149 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,151 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,153 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,160 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,162 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,164 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,166 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,169 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,171 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,173 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,175 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,177 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,179 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,192 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,196 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,198 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,200 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,203 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,205 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,207 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,209 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,213 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,222 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,224 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,226 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,228 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,230 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,232 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,234 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,241 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,243 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,253 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,255 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,257 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,259 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,264 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,266 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,268 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,277 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,279 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,290 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,303 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,305 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,307 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,318 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,324 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,326 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,333 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,335 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,356 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,358 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,360 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,362 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,364 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,367 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,369 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,371 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,374 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,376 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,378 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,380 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,382 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,384 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,386 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,388 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,391 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,393 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,396 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,398 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,401 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,403 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,406 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,408 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,410 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,413 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,415 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,417 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,419 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,421 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,424 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,426 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,428 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,430 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,432 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,434 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,436 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,438 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,440 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,442 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,444 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,446 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,449 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,451 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,453 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,455 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,457 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,459 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,461 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,463 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,465 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,467 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,469 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,471 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,473 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,475 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,477 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,479 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,484 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,486 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,488 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,493 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,495 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,497 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,500 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,507 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,509 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,511 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,513 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,516 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,519 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,524 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,526 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,543 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,546 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,549 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,551 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,557 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,563 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,567 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,574 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,582 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,589 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,591 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,594 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,596 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,598 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,600 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,607 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,614 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,616 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,619 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,632 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,637 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,642 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,645 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,647 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,653 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10 2026-02-10T11:42:58,659 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,660 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,663 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,665 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,671 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,682 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,684 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,690 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,692 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,694 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,701 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,703 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,705 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,707 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,710 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,712 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,714 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,717 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,719 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,734 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,736 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,739 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38 2026-02-10T11:42:58,755 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,757 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,772 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,774 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,783 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,785 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,787 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,794 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,805 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,807 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,812 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,814 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,816 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,818 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,826 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20 2026-02-10T11:42:58,829 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,835 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,837 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,839 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,841 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,843 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,845 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,852 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,855 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,874 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,877 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,879 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,883 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,885 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,888 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,890 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,892 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,894 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,897 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,899 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36 2026-02-10T11:42:58,922 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,923 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,925 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,927 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,930 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,932 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,935 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,936 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,939 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,941 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,943 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,946 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,949 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,951 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,953 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,955 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,957 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,960 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,961 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,964 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,966 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,968 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,970 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,973 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,975 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,977 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,979 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,981 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,983 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,985 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,987 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,989 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,991 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,993 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,996 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:58,998 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,000 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,002 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,004 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,006 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,008 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,010 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,012 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,014 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,016 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,018 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,020 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,022 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,024 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,026 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,028 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,030 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,032 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,034 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,036 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,038 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,040 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,042 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,044 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,046 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,048 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,050 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,052 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,054 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,056 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,058 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,060 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,062 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,064 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,066 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,068 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,070 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,072 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,074 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,075 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,078 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,080 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,083 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,085 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,087 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,089 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,091 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,093 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,095 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,097 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,099 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,101 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,103 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,105 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,107 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,110 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,112 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,115 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,118 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,120 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,123 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,125 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,127 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,129 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,132 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,135 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,137 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,139 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,141 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,143 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,146 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,148 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,150 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,152 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,154 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,156 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,158 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,161 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,163 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,165 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,167 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,170 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,172 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,174 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,176 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,178 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,181 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,183 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,185 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,187 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,189 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,191 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,194 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,197 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,199 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,201 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,204 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,206 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,208 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,210 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,212 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,214 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,216 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,218 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,220 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,221 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,223 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,225 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,227 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,229 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,231 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,233 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,235 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,237 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,239 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,240 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,242 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,244 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,245 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,247 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,249 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,251 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,252 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,254 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,256 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,258 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,260 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,262 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,265 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,267 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,270 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,272 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,274 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,276 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,278 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,280 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,281 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,283 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,285 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,286 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,288 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,289 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,292 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,293 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,295 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,297 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,299 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,301 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,304 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,306 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,308 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,310 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,312 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,314 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,316 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,319 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,321 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,323 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,325 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,327 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,328 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,330 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,332 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,334 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,337 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,339 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,340 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,342 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,344 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,346 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,349 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,351 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,353 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,355 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,357 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,359 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10 2026-02-10T11:42:59,363 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16 2026-02-10T11:42:59,364 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 2026-02-10T11:42:59,366 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 2026-02-10T11:42:59,368 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 2026-02-10T11:42:59,370 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 2026-02-10T11:42:59,373 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 2026-02-10T11:42:59,375 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 2026-02-10T11:42:59,376 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 2026-02-10T11:42:59,378 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 2026-02-10T11:42:59,380 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 2026-02-10T11:42:59,382 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 2026-02-10T11:42:59,384 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 2026-02-10T11:42:59,386 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 2026-02-10T11:42:59,388 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 2026-02-10T11:42:59,390 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 2026-02-10T11:42:59,392 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 2026-02-10T11:42:59,394 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 2026-02-10T11:42:59,396 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 2026-02-10T11:42:59,398 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 2026-02-10T11:42:59,400 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 2026-02-10T11:42:59,403 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 2026-02-10T11:42:59,405 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 2026-02-10T11:42:59,407 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 2026-02-10T11:42:59,409 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 2026-02-10T11:42:59,410 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 2026-02-10T11:42:59,412 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 2026-02-10T11:42:59,414 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 2026-02-10T11:42:59,416 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 2026-02-10T11:42:59,418 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 2026-02-10T11:42:59,420 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 2026-02-10T11:42:59,423 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 2026-02-10T11:42:59,425 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 2026-02-10T11:42:59,427 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 2026-02-10T11:42:59,429 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 2026-02-10T11:42:59,431 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 2026-02-10T11:42:59,432 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 2026-02-10T11:42:59,434 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 2026-02-10T11:42:59,436 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 2026-02-10T11:42:59,438 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 2026-02-10T11:42:59,441 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 2026-02-10T11:42:59,443 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 2026-02-10T11:42:59,445 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 2026-02-10T11:42:59,447 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 2026-02-10T11:42:59,449 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 2026-02-10T11:42:59,451 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 2026-02-10T11:42:59,453 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 2026-02-10T11:42:59,454 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 2026-02-10T11:42:59,456 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 2026-02-10T11:42:59,458 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 2026-02-10T11:42:59,461 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,462 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,464 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,466 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,468 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,470 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,472 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,474 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,476 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6 2026-02-10T11:42:59,480 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,481 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,483 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,485 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,487 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,490 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,492 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,494 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,496 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,499 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,501 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,503 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,505 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,508 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,510 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,512 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,515 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,517 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,520 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,522 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,525 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,528 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,530 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,533 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,535 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,538 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,539 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,541 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,544 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,547 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,550 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,553 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,555 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,558 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,560 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,562 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,565 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,568 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,570 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,572 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,575 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,578 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,580 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,583 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,585 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,587 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,590 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,592 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,595 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,597 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,599 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,602 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,604 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,606 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,609 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,612 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,615 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,618 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,621 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,623 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,626 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,628 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,630 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,633 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,635 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,638 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,640 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,643 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,646 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,648 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,650 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,652 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,655 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,657 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,659 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,662 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,664 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,666 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,668 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,670 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,673 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,675 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,677 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,679 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,681 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,683 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,685 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,687 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,689 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,691 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,693 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,695 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,697 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,699 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40 2026-02-10T11:42:59,703 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,704 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,706 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,708 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,711 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,713 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,715 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,718 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,720 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,722 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,724 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,726 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,729 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,731 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,733 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,735 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,737 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,740 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,741 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,743 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,745 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,746 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,748 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,750 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,751 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,753 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,754 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,756 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,759 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,760 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,762 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,764 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,766 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,767 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,769 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,771 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,773 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,775 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,777 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,779 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,781 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20 2026-02-10T11:42:59,783 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,784 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,786 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,788 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,790 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,792 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,795 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,797 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,799 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,801 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,803 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,806 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,808 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,810 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,813 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18 2026-02-10T11:42:59,816 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,817 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,819 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,821 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,823 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,826 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 2026-02-10T11:42:59,827 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,829 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,831 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,833 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,835 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 2026-02-10T11:42:59,837 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 2026-02-10T11:42:59,839 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 2026-02-10T11:42:59,842 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,844 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,846 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 2026-02-10T11:42:59,848 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,850 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF 2026-02-10T11:42:59,851 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 2026-02-10T11:42:59,856 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,857 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,859 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,861 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,863 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,864 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,866 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,868 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,870 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,871 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,873 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,875 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,878 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,880 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,882 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,884 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,886 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,889 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,891 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,893 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,895 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,896 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,898 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,900 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,901 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,903 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,904 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,906 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,908 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,910 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,911 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,913 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,915 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,917 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,919 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,921 copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51 2026-02-10T11:42:59,924 copying build/lib/xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset 2026-02-10T11:42:59,945 creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,947 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,949 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,951 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,952 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,954 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,957 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,959 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,961 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,963 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,966 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,968 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,970 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,972 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,973 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,976 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,978 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,980 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,982 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,984 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,986 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,988 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,991 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,994 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,996 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:42:59,998 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,002 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,003 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,005 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,007 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,009 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,011 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,013 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,014 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,016 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,018 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,022 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,024 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,026 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,027 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,030 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,032 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,034 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,036 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,038 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,041 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,043 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,045 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,047 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,049 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,051 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,053 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,055 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,057 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,058 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,060 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,063 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,065 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,066 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,068 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,070 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,073 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,075 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,077 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,079 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,081 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,083 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,086 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,088 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,092 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,094 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,097 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,099 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,101 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,102 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,104 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,107 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,109 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,111 copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy 2026-02-10T11:43:00,118 running install_egg_info 2026-02-10T11:43:00,129 Copying xcbm.egg-info to build/bdist.linux-armv7l/wheel/./xcbm-0.1.8-py3.11.egg-info 2026-02-10T11:43:00,153 running install_scripts 2026-02-10T11:43:00,166 creating build/bdist.linux-armv7l/wheel/xcbm-0.1.8.dist-info/WHEEL 2026-02-10T11:43:00,170 creating '/tmp/pip-wheel-z3lbqmyn/.tmp-b3nm_smx/xcbm-0.1.8-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-02-10T11:43:00,174 adding 'xcbm/GMTKN55.py' 2026-02-10T11:43:00,176 adding 'xcbm/MGCDB84.py' 2026-02-10T11:43:00,180 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt' 2026-02-10T11:43:00,181 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt' 2026-02-10T11:43:00,182 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:43:00,183 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt' 2026-02-10T11:43:00,185 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt' 2026-02-10T11:43:00,186 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:43:00,187 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt' 2026-02-10T11:43:00,188 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:43:00,190 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:43:00,191 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2026-02-10T11:43:00,192 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2026-02-10T11:43:00,193 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2026-02-10T11:43:00,195 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt' 2026-02-10T11:43:00,196 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2026-02-10T11:43:00,197 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_C60ISO.txt' 2026-02-10T11:43:00,198 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt' 2026-02-10T11:43:00,200 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt' 2026-02-10T11:43:00,201 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt' 2026-02-10T11:43:00,203 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DARC.txt' 2026-02-10T11:43:00,204 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt' 2026-02-10T11:43:00,205 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:43:00,207 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2026-02-10T11:43:00,208 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:43:00,209 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:43:00,210 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:43:00,212 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:43:00,213 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:43:00,214 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt' 2026-02-10T11:43:00,216 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2026-02-10T11:43:00,217 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IDISP.txt' 2026-02-10T11:43:00,218 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2026-02-10T11:43:00,219 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2026-02-10T11:43:00,221 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2026-02-10T11:43:00,222 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISOL24.txt' 2026-02-10T11:43:00,223 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2026-02-10T11:43:00,224 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MCONF.txt' 2026-02-10T11:43:00,225 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_NBPRC.txt' 2026-02-10T11:43:00,226 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:43:00,228 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt' 2026-02-10T11:43:00,229 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PCONF21.txt' 2026-02-10T11:43:00,230 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2026-02-10T11:43:00,231 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2026-02-10T11:43:00,232 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt' 2026-02-10T11:43:00,234 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2026-02-10T11:43:00,235 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:43:00,236 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt' 2026-02-10T11:43:00,237 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2026-02-10T11:43:00,239 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SCONF.txt' 2026-02-10T11:43:00,240 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:43:00,241 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SLIM05.txt' 2026-02-10T11:43:00,242 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:43:00,244 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_UPU23.txt' 2026-02-10T11:43:00,245 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:43:00,246 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:43:00,247 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:43:00,249 adding 'xcbm/GMTKN55_Dataset/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2026-02-10T11:43:00,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:43:00,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:43:00,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:43:00,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:43:00,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2026-02-10T11:43:00,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CHB6.txt' 2026-02-10T11:43:00,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:43:00,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:43:00,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:43:00,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:43:00,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:43:00,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:43:00,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVYSB11.txt' 2026-02-10T11:43:00,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2026-02-10T11:43:00,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:43:00,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2026-02-10T11:43:00,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:43:00,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:43:00,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:43:00,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:43:00,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:43:00,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:43:00,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:43:00,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:43:00,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:43:00,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:43:00,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2026-02-10T11:43:00,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt' 2026-02-10T11:43:00,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:43:00,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:43:00,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:43:00,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:43:00,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:43:00,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:43:00,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt' 2026-02-10T11:43:00,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2026-02-10T11:43:00,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:43:00,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2026-02-10T11:43:00,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:43:00,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:43:00,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:43:00,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:43:00,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:43:00,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:43:00,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:43:00,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:43:00,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:43:00,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:43:00,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:43:00,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:43:00,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:43:00,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:43:00,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:43:00,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:43:00,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:43:00,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:43:00,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:43:00,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:43:00,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:43:00,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:43:00,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:43:00,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:43:00,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:43:00,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:43:00,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:43:00,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:43:00,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:43:00,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:43:00,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:43:00,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:43:00,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:43:00,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:43:00,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:43:00,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:43:00,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:43:00,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:43:00,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:43:00,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:43:00,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:43:00,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:43:00,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:43:00,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:43:00,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:43:00,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:43:00,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:43:00,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:43:00,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:43:00,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:43:00,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:43:00,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:43:00,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:43:00,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:43:00,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:43:00,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:43:00,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:43:00,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:43:00,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:43:00,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:43:00,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:43:00,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:43:00,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:43:00,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:43:00,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:43:00,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:43:00,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:43:00,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:43:00,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:43:00,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:43:00,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:43:00,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:43:00,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:43:00,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:43:00,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:43:00,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:43:00,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:43:00,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:43:00,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:43:00,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:43:00,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:43:00,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:43:00,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:43:00,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:43:00,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:43:00,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:43:00,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:43:00,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:43:00,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:43:00,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:43:00,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:43:00,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:43:00,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:43:00,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:43:00,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:43:00,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:43:00,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:43:00,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:43:00,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:43:00,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:43:00,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:43:00,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:43:00,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:43:00,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:43:00,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:43:00,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:43:00,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:43:00,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:43:00,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:43:00,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:43:00,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:43:00,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:43:00,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:43:00,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:43:00,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:43:00,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:43:00,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:43:00,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:43:00,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:43:00,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:43:00,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:43:00,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:43:00,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:43:00,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:43:00,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:43:00,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:43:00,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:43:00,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:43:00,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:43:00,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:43:00,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:43:00,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:43:00,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:43:00,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:43:00,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:43:00,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:43:00,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:43:00,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:43:00,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:43:00,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:43:00,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:43:00,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:43:00,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:43:00,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:43:00,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:43:00,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:43:00,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:43:00,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:43:00,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:43:00,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:43:00,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:43:00,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:43:00,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:43:00,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:43:00,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:43:00,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:43:00,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:43:00,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:43:00,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:43:00,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:43:00,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:43:00,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:43:00,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:43:00,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:43:00,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:43:00,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:43:00,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:43:00,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:43:00,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:43:00,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:43:00,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:43:00,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:43:00,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:43:00,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:43:00,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:43:00,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:43:00,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:43:00,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:43:00,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:43:00,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:43:00,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:43:00,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:43:00,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:43:00,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:43:00,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:43:00,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:43:00,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:43:00,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:43:00,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:43:00,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:43:00,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:43:00,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:43:00,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:43:00,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:43:00,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:43:00,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:43:00,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:43:00,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:43:00,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:43:00,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:43:00,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:43:00,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:43:00,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:43:00,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:43:00,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:43:00,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:43:00,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:43:00,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:43:00,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:43:00,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:43:00,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:43:00,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:43:00,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:43:00,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:43:00,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:43:00,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:43:00,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:43:00,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:43:00,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:43:00,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:43:00,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:43:00,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:43:00,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:43:00,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:43:00,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:43:00,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:43:00,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:43:00,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:43:00,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:43:00,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:43:00,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:43:00,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:43:00,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:43:00,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:43:00,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:43:00,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:43:00,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:43:00,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:43:00,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:43:00,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:43:00,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:43:00,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:43:00,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:43:00,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:43:00,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:43:00,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:43:00,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:43:00,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:43:00,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:43:00,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:43:00,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:43:00,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:43:00,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:43:00,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:43:00,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:43:00,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:43:00,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:43:00,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:43:00,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:43:00,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:43:00,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:43:00,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:43:00,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:43:00,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:43:00,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:43:00,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:43:00,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:43:00,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:43:00,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:43:00,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:43:00,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:43:00,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:43:00,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:43:00,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:43:00,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:43:00,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:43:00,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:43:00,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:43:00,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:43:00,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:43:00,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:43:00,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:43:00,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:43:00,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:43:00,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:43:00,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:43:00,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:43:00,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:43:00,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:43:00,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:43:00,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:43:00,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:43:00,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:43:00,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:43:00,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:43:00,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:43:00,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:43:00,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:43:00,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:43:00,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:43:00,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:43:00,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:43:00,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:43:00,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:43:00,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:43:00,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:43:00,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:43:00,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:43:00,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:43:00,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:43:00,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:43:00,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:43:00,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:43:00,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:43:00,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:43:00,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:43:00,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:43:00,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:43:00,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:43:00,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:43:00,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:43:00,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:43:00,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:43:00,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:43:00,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:43:00,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:00,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:00,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:43:00,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:43:00,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:43:00,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:43:00,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:43:00,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:43:00,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:43:00,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:43:00,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:43:00,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:43:00,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:43:00,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:43:00,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:43:00,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:43:00,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:43:00,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:43:00,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:43:00,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:43:00,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:43:00,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:43:00,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:43:00,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:43:00,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:43:00,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:43:00,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:43:00,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:43:00,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:43:00,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:43:00,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:43:00,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:43:00,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:43:00,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:43:00,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:43:00,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:43:00,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:43:00,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:43:00,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:43:00,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:43:00,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:43:00,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:43:00,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:43:00,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:43:00,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:43:00,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:43:00,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:43:00,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:43:00,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:43:00,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:43:00,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:43:00,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:43:00,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:43:00,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:43:00,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:43:00,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:43:00,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:43:00,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:43:00,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:43:00,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:43:00,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:43:00,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:43:00,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:43:00,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:43:00,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:43:00,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:43:01,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:43:01,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:43:01,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:43:01,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:43:01,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:43:01,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:43:01,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:43:01,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:43:01,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:43:01,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:43:01,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:43:01,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:43:01,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:43:01,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:43:01,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:43:01,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:43:01,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:43:01,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:43:01,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:43:01,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:43:01,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:01,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:01,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:43:01,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:43:01,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:43:01,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:43:01,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:43:01,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:43:01,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:43:01,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:43:01,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:43:01,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:43:01,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:43:01,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:43:01,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:43:01,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:43:01,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:43:01,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:43:01,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:43:01,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:43:01,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:43:01,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:43:01,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:43:01,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:43:01,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:43:01,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:43:01,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:43:01,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:43:01,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:43:01,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:43:01,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:43:01,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:43:01,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:43:01,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:43:01,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:43:01,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:43:01,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:43:01,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:43:01,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:43:01,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:43:01,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:43:01,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:43:01,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:43:01,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:43:01,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:43:01,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:43:01,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:43:01,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:43:01,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:43:01,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:43:01,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:43:01,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:43:01,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:43:01,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:43:01,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:43:01,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:43:01,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:43:01,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:43:01,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:43:01,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:43:01,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:43:01,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:43:01,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:43:01,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:43:01,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:43:01,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:43:01,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:43:01,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:43:01,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:43:01,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:43:01,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:43:01,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:43:01,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:43:01,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:43:01,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:43:01,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:43:01,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:43:01,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:43:01,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:43:01,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:43:01,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:43:01,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:43:01,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:43:01,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:43:01,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:43:01,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:43:01,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:43:01,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:43:01,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:43:01,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:43:01,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:43:01,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:43:01,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:43:01,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:43:01,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:43:01,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:43:01,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:43:01,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:43:01,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:43:01,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:43:01,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:43:01,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:43:01,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:43:01,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:43:01,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:43:01,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:43:01,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:43:01,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:43:01,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:43:01,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:43:01,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:43:01,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:43:01,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:43:01,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:43:01,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:43:01,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:43:01,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:43:01,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:43:01,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:43:01,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:43:01,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:43:01,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:43:01,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:01,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:43:01,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:43:01,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:43:01,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:43:01,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:43:01,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:43:01,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:43:01,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:43:01,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:43:01,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:43:01,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:43:01,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:43:01,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:43:01,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:43:01,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:43:01,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:43:01,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:43:01,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:43:01,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:43:01,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:43:01,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:43:01,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:43:01,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:43:01,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:43:01,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:43:01,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:43:01,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:43:01,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:43:01,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:43:01,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:43:01,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:43:01,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:43:01,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:43:01,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:43:01,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:43:01,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:43:01,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:43:01,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:43:01,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:43:01,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:43:01,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:43:01,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:43:01,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:43:01,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:43:01,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:43:01,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:43:01,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:43:01,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:43:01,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:43:01,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:43:01,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:43:01,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:43:01,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:43:01,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:43:01,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:43:01,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:43:01,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:43:01,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:43:01,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:43:01,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:43:01,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:43:01,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:43:01,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:43:01,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:43:01,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:43:01,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:43:01,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:43:01,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:43:01,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:43:01,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:43:01,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:43:01,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:43:01,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:43:01,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:43:01,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:43:01,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:43:01,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:43:01,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:43:01,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:43:01,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:43:01,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:43:01,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:43:01,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:43:01,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:43:01,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:43:01,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:43:01,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:43:01,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:43:01,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:43:01,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:43:01,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:43:01,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:43:01,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:43:01,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:43:01,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:43:01,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:43:01,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:43:01,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:43:01,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:43:01,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:43:01,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:43:01,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:43:01,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:43:01,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:43:01,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:43:01,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:43:01,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:43:01,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:43:01,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:43:01,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:43:01,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:43:01,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:43:01,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:43:01,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:43:01,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:43:01,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:43:01,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:43:01,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:43:01,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:43:01,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:43:01,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:43:01,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:43:01,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:43:01,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:43:01,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:43:01,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:43:01,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:43:01,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:43:01,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:43:01,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:43:01,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:43:01,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:43:01,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:43:01,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:43:01,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:43:01,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:43:01,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:43:01,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:43:01,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:43:01,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:43:01,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:43:01,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:43:01,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:43:01,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:43:01,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:43:01,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:43:01,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:43:01,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:43:01,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:43:01,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:43:01,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:43:01,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:43:01,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:43:01,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:43:01,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:43:01,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:43:01,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:43:01,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:43:01,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:43:01,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:43:01,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:43:01,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:43:01,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:43:01,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:43:01,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:43:01,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:43:01,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:43:01,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:43:01,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:43:01,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:43:01,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:43:01,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:43:01,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:43:01,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:43:01,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:43:01,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:43:01,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:43:01,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:43:01,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:43:01,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:43:01,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:43:01,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:43:01,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:43:01,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:43:01,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:43:01,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:43:01,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:43:01,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:43:01,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:43:01,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:43:01,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:43:01,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:43:01,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:43:01,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:43:01,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:43:01,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:43:01,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:43:01,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:43:01,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:43:01,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:43:01,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:43:01,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:43:01,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:43:01,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:43:01,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:43:01,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:43:01,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:43:01,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:43:01,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:43:01,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:43:01,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:43:01,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:43:01,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:43:01,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:43:01,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:43:01,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:43:01,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:43:01,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:43:01,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:43:01,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:43:01,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:43:01,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:43:01,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:43:01,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:43:01,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:43:01,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:43:01,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:43:01,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:43:01,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:43:01,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:43:01,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:43:01,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:43:01,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:43:01,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:43:01,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:43:01,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:43:01,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:43:01,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:43:01,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:43:01,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:43:01,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:43:01,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:43:01,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:43:01,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:43:01,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:43:01,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:43:01,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:43:01,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:43:01,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:43:01,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:43:01,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:43:01,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:43:01,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:43:01,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:43:01,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:43:01,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:43:01,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:43:01,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:43:01,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:43:01,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:43:01,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:43:01,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:43:01,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:43:01,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:43:01,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:43:01,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:43:01,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:43:01,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:43:01,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:43:01,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:43:01,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:43:01,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:43:01,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:43:01,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:43:01,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:43:01,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:43:01,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:43:01,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:43:01,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:43:01,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:43:01,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:43:01,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:43:01,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:43:01,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:43:01,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:43:01,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:43:01,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:43:01,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:43:01,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:43:01,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:43:01,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:43:01,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:43:01,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:43:01,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:43:01,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:43:01,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:43:01,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:43:01,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:43:01,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:43:01,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:43:01,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:43:01,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:43:01,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:43:01,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:43:01,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:43:01,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:43:01,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:43:01,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:43:01,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:43:01,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:43:01,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:43:01,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:43:01,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:43:01,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:43:01,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:43:01,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:43:01,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:43:01,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:43:01,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:43:01,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:43:01,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:43:01,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:43:01,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:43:01,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:43:01,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:43:01,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:43:01,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:43:01,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:43:01,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:43:01,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:43:01,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:43:01,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:43:01,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:43:01,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:43:01,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:43:01,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:43:01,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:43:01,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:43:01,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:43:01,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:43:01,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:43:01,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:43:01,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:43:01,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:43:01,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:43:01,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:43:01,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:43:01,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:43:01,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:43:01,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:43:01,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:43:01,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:43:01,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:43:01,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:43:01,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:43:01,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:43:01,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:43:01,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:43:01,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:43:01,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:43:01,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:43:01,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:43:01,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:43:01,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:43:01,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:43:01,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:43:01,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:43:01,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:43:01,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:43:01,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:43:01,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:43:01,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:43:01,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:43:01,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:43:01,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:43:01,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:43:01,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:43:01,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:43:01,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:43:01,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:43:01,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:43:01,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:43:01,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:43:01,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:43:01,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:43:01,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:43:01,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:43:01,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:43:01,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:43:01,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:43:01,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:43:01,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:43:01,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:43:01,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:43:01,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:43:01,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:43:02,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:43:02,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:43:02,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:43:02,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:43:02,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:43:02,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:43:02,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:43:02,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:43:02,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:43:02,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:43:02,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:43:02,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:43:02,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:43:02,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:43:02,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:43:02,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:43:02,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:43:02,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:43:02,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:43:02,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:43:02,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:43:02,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:43:02,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:43:02,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:43:02,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:43:02,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:43:02,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:43:02,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:43:02,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:43:02,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:43:02,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:43:02,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:43:02,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:43:02,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:43:02,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:43:02,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:43:02,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:43:02,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:43:02,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:43:02,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:43:02,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:43:02,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:43:02,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:43:02,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:43:02,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:43:02,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:43:02,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:43:02,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:43:02,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:43:02,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:43:02,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:43:02,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:43:02,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:43:02,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:43:02,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:43:02,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:43:02,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:43:02,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:43:02,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:43:02,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:43:02,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:43:02,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:43:02,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:43:02,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:43:02,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:43:02,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:43:02,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:43:02,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:43:02,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:43:02,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:43:02,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:43:02,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:43:02,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:43:02,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:43:02,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:43:02,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:43:02,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:43:02,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:43:02,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:43:02,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:43:02,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:43:02,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:43:02,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:43:02,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:43:02,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:43:02,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:43:02,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:43:02,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:43:02,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:43:02,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:43:02,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:43:02,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:43:02,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:43:02,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:43:02,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:43:02,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:43:02,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:43:02,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:43:02,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:43:02,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:43:02,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:43:02,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:43:02,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:43:02,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:43:02,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:43:02,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:43:02,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:43:02,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:43:02,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:43:02,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:43:02,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:43:02,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:43:02,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:43:02,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:43:02,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:43:02,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:43:02,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:43:02,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:43:02,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:43:02,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:43:02,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:43:02,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:43:02,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:43:02,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:43:02,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:43:02,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:43:02,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:43:02,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:43:02,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:43:02,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:43:02,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:43:02,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:43:02,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:43:02,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:43:02,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:43:02,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:43:02,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:43:02,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:43:02,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:43:02,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:43:02,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:43:02,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:43:02,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:43:02,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:43:02,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:43:02,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:43:02,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:43:02,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:43:02,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:43:02,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:43:02,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:43:02,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:43:02,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:43:02,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:43:02,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:43:02,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:43:02,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:43:02,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:43:02,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:43:02,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:43:02,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:43:02,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:43:02,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:43:02,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:43:02,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:43:02,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:43:02,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:43:02,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:43:02,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:43:02,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:43:02,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:43:02,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:43:02,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:43:02,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:43:02,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:43:02,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:43:02,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:43:02,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:43:02,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:43:02,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:43:02,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:43:02,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:43:02,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:43:02,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:43:02,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:43:02,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:43:02,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:43:02,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:43:02,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:43:02,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:43:02,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:43:02,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:43:02,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:43:02,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:43:02,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:43:02,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:43:02,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:43:02,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:43:02,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:43:02,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:43:02,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:43:02,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:43:02,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:43:02,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:43:02,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:43:02,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:43:02,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:43:02,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:43:02,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:43:02,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:43:02,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:43:02,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:43:02,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:43:02,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:43:02,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:43:02,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:43:02,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:43:02,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:43:02,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:43:02,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:43:02,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:43:02,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:43:02,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:43:02,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:43:02,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:43:02,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:43:02,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:43:02,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:43:02,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:43:02,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:43:02,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:43:02,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:43:02,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:43:02,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:43:02,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:43:02,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:43:02,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:43:02,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:43:02,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:43:02,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:43:02,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:43:02,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:43:02,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:43:02,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:43:02,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:43:02,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:43:02,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:43:02,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:43:02,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:43:02,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:43:02,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:43:02,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:43:02,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:43:02,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:43:02,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:43:02,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:43:02,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:43:02,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:43:02,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:43:02,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:43:02,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:43:02,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:43:02,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:43:02,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:43:02,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:43:02,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:43:02,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:43:02,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:43:02,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:43:02,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:43:02,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:43:02,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:43:02,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:43:02,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:43:02,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:43:02,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:43:02,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:43:02,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:43:02,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:43:02,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:43:02,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:43:02,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:43:02,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:43:02,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:43:02,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:43:02,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:43:02,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:43:02,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:43:02,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:43:02,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:43:02,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:43:02,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:43:02,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:43:02,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:43:02,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:43:02,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:43:02,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:43:02,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:43:02,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:43:02,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:43:02,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:43:02,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:43:02,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:43:02,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:43:02,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:43:02,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:43:02,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:43:02,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:43:02,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:43:02,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:43:02,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:43:02,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:43:02,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:43:02,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:43:02,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:43:02,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:43:02,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:43:02,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:43:02,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:43:02,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:43:02,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:43:02,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:43:02,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:43:02,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:43:02,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:43:02,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:43:02,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:43:02,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:43:02,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:43:02,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:43:02,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:43:02,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:43:02,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:43:02,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:43:02,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:43:02,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:43:02,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:43:02,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:43:02,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:43:02,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:43:02,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:43:02,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:43:02,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:43:02,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:43:02,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:43:02,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:43:02,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:43:02,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:43:02,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:43:02,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:43:02,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:43:02,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:43:02,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:43:02,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:43:02,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:43:02,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:43:02,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:43:02,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:43:02,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:43:02,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:43:02,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:43:02,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:43:02,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:43:02,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:43:02,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:43:02,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:43:02,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:43:02,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:43:02,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:43:02,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:43:02,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:43:02,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:43:02,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:43:02,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:43:02,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:43:02,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:43:02,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:43:02,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:43:02,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:43:02,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:43:02,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:43:02,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:43:02,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:43:02,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:43:02,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:43:02,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:43:02,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:43:02,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:43:02,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:43:02,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:43:02,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:43:02,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:43:02,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:43:02,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:43:02,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:43:02,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:43:02,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:43:02,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:43:02,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:43:02,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:43:02,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:43:02,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:43:02,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:43:02,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:43:02,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:43:02,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:43:02,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:43:02,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:43:02,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:43:02,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:43:02,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:43:02,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:43:02,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:43:02,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:43:02,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:43:02,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:43:02,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:43:02,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:43:02,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:43:02,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:43:02,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:43:02,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:43:02,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:43:02,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:43:02,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:43:02,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:43:02,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:43:02,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:43:02,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:43:02,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:43:02,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:43:02,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:43:02,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:43:02,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:43:02,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:43:02,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:43:02,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:43:02,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:43:02,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:43:02,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:43:03,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:43:03,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:43:03,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:43:03,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:43:03,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:43:03,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:43:03,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:43:03,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:43:03,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:43:03,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:43:03,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:43:03,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:43:03,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:43:03,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:43:03,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:43:03,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:43:03,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:43:03,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:43:03,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:43:03,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:43:03,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:43:03,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:43:03,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:43:03,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:43:03,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:43:03,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:43:03,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:43:03,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:43:03,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:43:03,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:43:03,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:43:03,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:43:03,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:43:03,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:43:03,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:43:03,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:43:03,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:43:03,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:43:03,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:43:03,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:43:03,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:43:03,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:43:03,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:43:03,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:43:03,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:43:03,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:43:03,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:43:03,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:43:03,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:43:03,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:43:03,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:43:03,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:43:03,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:43:03,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:43:03,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:43:03,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:43:03,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:43:03,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:43:03,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:43:03,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:43:03,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:43:03,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:43:03,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:43:03,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:43:03,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:43:03,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:43:03,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:43:03,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:43:03,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:43:03,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:43:03,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:43:03,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:43:03,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:43:03,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:43:03,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:43:03,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:43:03,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:43:03,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:43:03,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:43:03,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:43:03,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:43:03,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:43:03,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:43:03,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:43:03,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:43:03,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:43:03,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:43:03,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:43:03,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:43:03,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:43:03,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:43:03,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:43:03,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:43:03,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:43:03,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:43:03,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:43:03,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:43:03,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:43:03,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:43:03,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:43:03,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:43:03,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:43:03,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:43:03,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:43:03,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:43:03,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:43:03,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:43:03,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:43:03,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:43:03,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:43:03,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:43:03,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:43:03,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:43:03,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:43:03,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:43:03,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:43:03,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:43:03,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:43:03,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:43:03,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:43:03,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:43:03,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:43:03,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:43:03,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:43:03,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:43:03,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:43:03,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:43:03,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:43:03,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:43:03,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:43:03,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:43:03,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:43:03,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:43:03,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:43:03,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:43:03,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:43:03,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:43:03,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:43:03,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:43:03,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:43:03,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:43:03,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:43:03,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:43:03,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:43:03,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:43:03,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:43:03,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:43:03,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:43:03,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:43:03,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:43:03,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:43:03,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:43:03,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:43:03,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:43:03,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:43:03,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:43:03,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:43:03,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:43:03,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:43:03,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:43:03,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:43:03,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:43:03,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:43:03,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:43:03,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:43:03,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:43:03,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:43:03,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:43:03,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:43:03,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:43:03,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:43:03,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:43:03,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:43:03,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:43:03,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:43:03,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:43:03,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:43:03,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:43:03,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:43:03,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:43:03,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:43:03,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:43:03,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:43:03,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:43:03,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:43:03,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:43:03,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:43:03,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:43:03,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:43:03,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:43:03,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:43:03,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:43:03,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:43:03,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:43:03,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:43:03,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:43:03,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:43:03,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:43:03,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:43:03,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:43:03,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:43:03,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:43:03,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:43:03,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:43:03,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:43:03,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:43:03,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:43:03,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:43:03,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:43:03,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:43:03,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:43:03,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:43:03,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:43:03,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:43:03,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:43:03,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:43:03,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:43:03,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:43:03,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:43:03,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:43:03,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:43:03,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:43:03,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:43:03,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:43:03,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:43:03,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:43:03,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:43:03,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:43:03,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:43:03,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:43:03,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:43:03,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:43:03,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:43:03,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:43:03,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:43:03,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:43:03,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:43:03,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:43:03,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:43:03,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:43:03,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:43:03,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:43:03,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:43:03,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:43:03,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:43:03,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:43:03,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:43:03,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:43:03,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:43:03,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:43:03,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:43:03,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:43:03,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:43:03,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:43:03,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:43:03,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:43:03,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:43:03,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:43:03,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:43:03,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:43:03,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:43:03,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:43:03,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:43:03,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:43:03,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:43:03,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:43:03,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:43:03,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:43:03,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:43:03,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:43:03,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:43:03,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:43:03,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:43:03,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:43:03,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:43:03,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:43:03,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:43:03,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:43:03,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:43:03,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:43:03,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:43:03,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:43:03,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:43:03,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:43:03,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:43:03,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:43:03,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:43:03,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:43:03,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:43:03,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:43:03,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:43:03,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:43:03,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:43:03,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:43:03,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:43:03,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:43:03,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:43:03,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:43:03,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:43:03,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:43:03,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:43:03,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:43:03,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:43:03,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:43:03,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:43:03,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:43:03,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:43:03,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:43:03,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:43:03,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:43:03,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:43:03,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:43:03,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:43:03,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:43:03,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:43:03,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:43:03,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:43:03,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:43:03,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:43:03,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:43:03,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:43:03,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:43:03,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:43:03,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:43:03,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:43:03,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:43:03,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:43:03,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:43:03,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:43:03,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:43:03,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:43:03,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:43:03,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:43:03,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:43:03,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:43:03,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:43:03,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:43:03,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:43:03,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:43:03,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:43:03,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:43:03,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:43:03,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:43:03,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:43:03,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:43:03,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:43:03,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:43:03,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:43:03,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:43:03,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:43:03,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:43:03,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:43:03,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:43:03,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:43:03,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:43:03,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:43:03,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:43:03,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:43:03,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:43:03,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:43:03,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:43:03,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:43:03,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:43:03,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:43:03,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:43:03,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:43:03,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:43:03,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:43:03,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:43:03,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:43:03,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:43:03,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:43:03,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:43:03,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:43:03,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:43:03,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:43:03,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:43:03,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:43:03,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:43:03,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:43:03,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:43:03,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:43:03,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:43:03,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:43:03,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:43:03,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:43:03,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:43:03,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:43:03,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:43:03,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:43:03,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:43:03,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:43:03,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:43:03,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:43:03,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:43:03,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:43:03,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:43:03,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:43:03,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:43:03,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:43:03,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:43:03,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:43:03,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:43:03,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:43:03,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:43:03,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:43:03,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:43:03,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:43:03,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:43:03,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:43:03,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:43:03,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:43:03,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:43:03,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:43:03,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:43:03,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:43:03,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:43:03,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:43:03,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:43:03,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:43:03,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:43:03,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:43:03,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:43:03,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:43:03,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:43:03,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:43:03,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:43:03,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:43:03,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:43:03,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:43:03,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:43:03,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:43:03,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:43:03,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:43:03,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:43:03,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:43:03,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:43:03,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:43:03,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:43:03,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:43:03,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:43:03,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:43:03,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:43:03,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:43:03,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:43:03,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:43:03,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:43:03,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:43:03,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:43:03,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:43:03,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:43:03,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:43:03,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:43:03,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:43:03,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:43:03,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:43:03,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:43:03,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:43:03,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:43:03,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:43:03,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:43:03,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:43:03,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:43:03,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:43:03,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:43:03,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:43:03,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:43:03,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:43:03,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:43:03,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:43:03,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:43:03,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:43:03,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:43:03,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:43:03,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:43:03,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:43:03,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:43:03,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:43:03,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:43:03,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:43:03,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:43:04,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:43:04,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:43:04,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:43:04,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:43:04,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:43:04,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:43:04,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:43:04,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:43:04,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:43:04,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:43:04,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:43:04,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:43:04,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:43:04,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:43:04,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:43:04,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:43:04,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:43:04,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:43:04,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:43:04,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:43:04,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:43:04,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:43:04,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:43:04,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:43:04,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:43:04,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:43:04,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:43:04,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:43:04,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:43:04,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:43:04,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:43:04,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:43:04,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:43:04,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:43:04,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:43:04,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:43:04,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:43:04,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:43:04,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:43:04,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:43:04,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:43:04,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:43:04,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:43:04,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:43:04,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:43:04,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:43:04,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:43:04,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:43:04,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:43:04,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:43:04,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:43:04,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:43:04,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:43:04,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:43:04,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:43:04,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:43:04,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:43:04,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:43:04,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:43:04,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:43:04,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:43:04,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:43:04,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:43:04,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:43:04,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:43:04,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:43:04,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:43:04,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:43:04,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:43:04,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:43:04,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:43:04,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:43:04,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:43:04,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:43:04,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:43:04,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:43:04,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:43:04,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:43:04,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:43:04,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:43:04,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:43:04,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:43:04,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:43:04,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:43:04,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:43:04,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:43:04,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:43:04,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:43:04,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:43:04,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:43:04,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:43:04,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:43:04,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:43:04,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:43:04,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:43:04,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:43:04,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:43:04,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:43:04,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:43:04,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:43:04,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:43:04,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:43:04,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:43:04,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:43:04,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:43:04,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:43:04,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:43:04,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:43:04,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:43:04,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:43:04,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:43:04,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:43:04,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:43:04,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:43:04,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:43:04,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:43:04,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:43:04,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:43:04,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:43:04,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:43:04,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:43:04,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:43:04,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:43:04,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:43:04,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:43:04,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:43:04,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:43:04,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:43:04,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:43:04,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:43:04,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:43:04,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:43:04,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:43:04,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:43:04,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:43:04,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:43:04,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:43:04,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:43:04,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:43:04,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:43:04,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:43:04,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:43:04,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:43:04,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:43:04,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:43:04,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:43:04,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:43:04,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:43:04,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:43:04,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:43:04,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:43:04,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:43:04,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:43:04,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:43:04,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:43:04,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:43:04,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:43:04,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:43:04,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:43:04,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:43:04,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:43:04,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:43:04,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:43:04,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:43:04,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:43:04,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:43:04,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:43:04,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:43:04,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:43:04,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:43:04,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:43:04,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:43:04,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:43:04,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:43:04,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:43:04,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:43:04,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:43:04,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:43:04,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:43:04,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:43:04,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:43:04,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:43:04,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:43:04,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:43:04,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:43:04,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:43:04,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:43:04,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:43:04,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:43:04,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:43:04,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:43:04,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:43:04,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:43:04,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:43:04,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:43:04,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:43:04,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:43:04,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:43:04,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:43:04,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:43:04,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:43:04,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:43:04,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:43:04,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:43:04,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:43:04,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:43:04,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:43:04,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:43:04,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:43:04,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:43:04,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:43:04,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:43:04,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:43:04,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:43:04,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:43:04,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:43:04,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:43:04,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:43:04,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:43:04,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:43:04,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:43:04,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:43:04,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:43:04,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:43:04,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:43:04,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:43:04,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:43:04,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:43:04,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:43:04,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:43:04,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:43:04,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:43:04,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:43:04,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:43:04,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:43:04,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:43:04,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:43:04,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:43:04,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:43:04,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:43:04,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:43:04,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:43:04,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:43:04,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:43:04,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:43:04,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:43:04,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:43:04,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:43:04,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:43:04,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:43:04,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:43:04,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:43:04,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:43:04,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:43:04,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:43:04,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:43:04,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:43:04,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:43:04,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:43:04,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:43:04,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:43:04,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:43:04,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:43:04,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:43:04,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:43:04,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:43:04,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:43:04,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:43:04,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:43:04,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:43:04,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:43:04,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:43:04,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:43:04,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:43:04,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:43:04,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:43:04,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:43:04,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:43:04,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:43:04,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:43:04,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:43:04,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:43:04,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:43:04,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:43:04,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:43:04,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:43:04,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:43:04,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:43:04,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:43:04,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:43:04,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:43:04,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:43:04,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:43:04,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:43:04,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:43:04,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:43:04,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:43:04,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:43:04,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:43:04,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:43:04,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:43:04,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:43:04,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:43:04,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:43:04,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:43:04,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:43:04,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:43:04,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:43:04,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:43:04,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:43:04,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:43:04,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:43:04,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:43:04,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:43:04,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:43:04,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:43:04,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:43:04,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:43:04,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:43:04,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:43:04,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:43:04,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:43:04,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:43:04,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:43:04,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:43:04,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:43:04,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:43:04,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:43:04,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:43:04,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:43:04,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:43:04,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:43:04,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:43:04,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:43:04,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:43:04,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:43:04,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:43:04,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:43:04,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:43:04,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:43:04,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:43:04,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:43:04,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:43:04,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:43:04,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:43:04,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:43:04,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:43:04,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:43:04,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:43:04,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:43:04,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:43:04,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:43:04,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:43:04,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:43:04,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:43:04,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:43:04,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:43:04,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:43:04,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:43:04,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:43:04,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:43:04,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:43:04,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:43:04,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:43:04,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:43:04,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:43:04,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:43:04,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:43:04,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:43:04,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:43:04,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:43:04,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:43:04,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:43:04,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:43:04,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:43:04,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:43:04,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:43:04,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:43:04,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:43:04,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:43:04,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:43:04,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:43:04,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:43:04,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:43:04,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:43:04,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:43:04,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:43:04,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:43:04,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:43:04,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:43:04,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:43:04,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:43:04,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:43:04,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:43:04,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:43:04,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:43:04,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:43:04,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:43:04,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:43:04,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:43:04,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:43:04,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:43:04,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:43:04,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:43:04,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:43:04,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:43:04,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:43:04,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:43:04,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:43:04,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:43:04,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:43:04,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:43:04,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:43:04,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:43:04,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:43:04,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:43:04,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:43:04,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:43:04,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:43:04,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:43:04,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:43:04,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:43:04,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:43:04,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:43:04,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:43:04,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:43:04,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:43:04,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:43:04,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:43:04,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:43:04,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:43:04,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:43:04,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:43:04,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:43:04,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:43:04,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:43:04,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:43:04,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:43:04,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:43:04,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:43:04,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:43:04,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:43:04,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:43:04,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:43:04,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:43:04,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:43:04,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:43:04,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:43:04,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:43:04,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:43:04,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:43:04,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:43:04,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:43:04,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:43:04,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:43:04,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:43:04,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:43:04,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:43:04,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:43:04,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:43:04,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:43:04,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:43:04,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:43:04,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:43:04,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:43:04,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:43:04,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:43:04,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:43:04,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:43:04,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:43:04,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:43:04,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:43:04,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:43:04,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:43:04,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:43:04,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:43:04,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:43:04,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:43:04,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:43:04,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:43:04,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:43:04,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:43:04,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:43:04,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:43:04,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:43:04,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:43:04,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:43:04,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:43:04,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:43:04,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:43:04,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:43:04,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:43:04,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:43:04,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:43:04,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:43:04,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:43:04,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:43:04,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:43:04,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:43:04,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:43:04,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:43:04,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:43:04,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:43:04,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:43:04,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:43:04,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:43:04,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:43:04,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:43:04,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:43:04,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:43:04,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:43:04,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:43:04,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:43:04,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:43:04,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:43:04,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:43:04,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:43:04,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:43:04,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:43:04,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:43:04,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:43:04,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:43:04,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:43:04,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:43:04,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:43:04,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:43:04,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:43:05,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:43:05,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:43:05,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:43:05,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:43:05,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:43:05,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:43:05,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:43:05,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:43:05,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:43:05,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:43:05,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:43:05,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:43:05,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:43:05,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:43:05,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:43:05,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:43:05,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:43:05,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:43:05,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:43:05,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:43:05,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:43:05,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:43:05,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:43:05,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:43:05,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:43:05,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:43:05,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:43:05,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:43:05,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:43:05,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:43:05,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:43:05,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:43:05,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:43:05,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:43:05,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:43:05,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:43:05,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:43:05,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:43:05,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:43:05,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:43:05,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:05,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:43:05,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:43:05,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:43:05,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:43:05,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:43:05,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:43:05,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:43:05,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:43:05,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:43:05,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:43:05,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:43:05,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:43:05,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:43:05,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:43:05,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:43:05,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:43:05,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:43:05,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:43:05,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:43:05,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:43:05,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:43:05,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:43:05,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:43:05,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:43:05,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:43:05,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:43:05,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:43:05,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:43:05,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:43:05,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:43:05,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:43:05,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:43:05,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:43:05,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:43:05,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:43:05,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:43:05,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:43:05,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:43:05,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:43:05,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:43:05,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:43:05,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:43:05,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:43:05,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:43:05,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:43:05,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:43:05,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:43:05,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:43:05,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:43:05,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:43:05,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:43:05,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:43:05,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:43:05,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:43:05,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:43:05,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:43:05,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:43:05,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:43:05,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:43:05,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:43:05,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:43:05,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:43:05,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:43:05,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:43:05,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:43:05,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:43:05,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:43:05,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:43:05,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:43:05,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:43:05,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:43:05,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:43:05,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:43:05,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:43:05,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:43:05,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:43:05,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:43:05,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:43:05,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:43:05,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:43:05,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:43:05,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:43:05,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:43:05,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:43:05,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:43:05,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:43:05,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:43:05,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:43:05,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:43:05,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:43:05,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:43:05,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:43:05,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:43:05,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:43:05,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:43:05,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:43:05,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:43:05,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:43:05,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:43:05,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:43:05,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:43:05,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:43:05,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:43:05,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:43:05,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:43:05,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:43:05,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:43:05,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:43:05,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:43:05,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:43:05,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:43:05,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:43:05,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:43:05,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:43:05,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:43:05,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:43:05,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:43:05,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:43:05,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:43:05,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:43:05,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:43:05,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:43:05,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:43:05,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:43:05,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:43:05,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:43:05,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:43:05,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:43:05,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:43:05,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:43:05,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:43:05,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:43:05,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:43:05,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:43:05,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:43:05,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:43:05,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:43:05,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:43:05,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:43:05,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:43:05,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:43:05,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:43:05,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:43:05,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:43:05,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:43:05,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:43:05,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:43:05,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:43:05,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:43:05,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:43:05,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:43:05,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:43:05,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:43:05,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:43:05,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:43:05,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:43:05,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:43:05,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:43:05,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:43:05,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:43:05,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:43:05,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:43:05,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:43:05,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:43:05,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:43:05,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:43:05,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:43:05,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:43:05,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:43:05,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:43:05,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:43:05,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:43:05,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:43:05,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:43:05,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:43:05,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:43:05,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:43:05,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:43:05,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:43:05,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:43:05,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:43:05,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:43:05,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:43:05,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:43:05,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:43:05,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:43:05,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:43:05,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:43:05,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:43:05,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:43:05,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:43:05,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:43:05,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:43:05,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:43:05,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:43:05,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:43:05,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:43:05,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:43:05,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:43:05,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:43:05,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:43:05,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:43:05,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:43:05,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:43:05,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:43:05,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:43:05,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:43:05,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:43:05,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:43:05,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:43:05,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:43:05,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:43:05,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:43:05,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:43:05,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:43:05,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:43:05,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:43:05,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:43:05,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:43:05,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:43:05,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:43:05,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:43:05,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:43:05,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:43:05,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:43:05,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:43:05,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:43:05,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:43:05,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:43:05,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:43:05,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:43:05,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:43:05,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:43:05,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:43:05,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:43:05,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:43:05,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:43:05,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:43:05,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:43:05,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:43:05,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:43:05,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:43:05,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:43:05,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:43:05,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:43:05,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:43:05,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:43:05,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:43:05,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:43:05,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:43:05,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:43:05,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:43:05,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:43:05,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:43:05,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:43:05,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:43:05,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:43:05,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:43:05,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:43:05,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:43:05,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:43:05,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:43:05,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:43:05,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:43:05,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:43:05,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:43:05,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:43:05,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:43:05,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:43:05,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:43:05,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:43:05,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:43:05,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:43:05,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:43:05,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:43:05,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:43:05,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:43:05,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:43:05,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:43:05,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:43:05,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:43:05,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:43:05,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:43:05,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:43:05,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:43:05,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:43:05,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:43:05,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:43:05,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:43:05,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:43:05,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:43:05,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:43:05,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:43:05,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:43:05,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:43:05,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:43:05,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:43:05,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:43:05,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:43:05,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:43:05,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:43:05,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:43:05,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:43:05,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:43:05,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM05/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:43:05,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ADIM6.txt' 2026-02-10T11:43:05,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:43:05,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AL2X6.txt' 2026-02-10T11:43:05,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALK8.txt' 2026-02-10T11:43:05,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:43:05,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:43:05,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:43:05,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2026-02-10T11:43:05,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2026-02-10T11:43:05,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHROT27.txt' 2026-02-10T11:43:05,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2026-02-10T11:43:05,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CARBHB12.txt' 2026-02-10T11:43:05,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DC13.txt' 2026-02-10T11:43:05,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:43:05,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2026-02-10T11:43:05,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:43:05,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:43:05,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:43:05,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:43:05,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:43:05,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2026-02-10T11:43:05,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2026-02-10T11:43:05,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2026-02-10T11:43:05,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2026-02-10T11:43:05,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:43:05,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2026-02-10T11:43:05,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2026-02-10T11:43:05,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RC21.txt' 2026-02-10T11:43:05,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RG18.txt' 2026-02-10T11:43:05,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:43:05,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2026-02-10T11:43:05,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:43:05,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:43:05,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:43:05,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:43:05,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:43:05,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2026-02-10T11:43:05,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt' 2026-02-10T11:43:05,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:43:05,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt' 2026-02-10T11:43:05,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt' 2026-02-10T11:43:05,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:43:05,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:43:05,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:43:05,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2026-02-10T11:43:05,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2026-02-10T11:43:05,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2026-02-10T11:43:05,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2026-02-10T11:43:05,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt' 2026-02-10T11:43:05,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DC13.txt' 2026-02-10T11:43:05,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:43:05,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2026-02-10T11:43:05,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:43:05,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:43:05,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:43:05,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:43:05,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:43:05,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2026-02-10T11:43:05,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2026-02-10T11:43:05,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2026-02-10T11:43:05,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2026-02-10T11:43:05,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:43:05,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2026-02-10T11:43:05,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2026-02-10T11:43:05,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RC21.txt' 2026-02-10T11:43:05,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2026-02-10T11:43:05,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:43:05,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2026-02-10T11:43:05,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:43:05,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:43:05,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:43:05,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:43:05,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:43:05,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2026-02-10T11:43:05,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:43:05,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:43:05,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:43:05,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:43:05,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:43:05,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:43:05,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:43:05,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:43:05,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:43:05,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:43:05,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:43:05,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:43:05,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:43:05,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:43:05,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:43:05,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:43:05,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:43:05,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:43:05,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:43:05,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:43:05,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:43:05,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:43:05,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:43:05,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:43:05,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:43:05,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:43:05,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:43:05,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:43:05,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:43:05,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:43:05,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:43:05,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:43:05,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:43:05,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:43:05,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:43:05,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:43:05,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:43:05,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:43:05,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:43:05,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:43:05,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:43:05,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:43:05,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:43:05,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:43:05,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:43:05,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:43:05,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:43:05,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:43:05,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:43:05,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:43:05,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:43:05,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:43:05,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:43:05,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:43:05,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:43:05,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:43:05,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:43:05,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:43:05,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:43:05,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:43:05,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:43:05,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:43:05,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:43:05,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:43:05,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:43:05,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:43:05,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:43:05,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:43:05,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:43:05,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:43:05,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:43:05,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:43:05,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:43:05,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:43:05,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:43:05,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:43:05,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:43:05,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:43:05,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:43:05,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:43:05,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:43:05,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:43:05,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:43:05,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:43:05,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:43:05,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:43:05,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:43:05,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:43:05,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:43:05,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:43:05,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:43:05,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:43:05,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:43:05,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:43:05,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:43:05,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:43:05,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:43:05,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:43:05,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:43:05,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:43:05,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:43:05,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:43:05,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:43:05,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:43:05,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:43:05,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:43:05,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:43:05,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:43:05,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:43:05,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:43:05,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:43:05,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:43:05,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:43:05,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:43:05,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:43:05,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:43:05,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:43:05,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:43:05,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:43:05,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:43:05,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:43:05,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:43:05,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:43:05,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:43:05,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:43:05,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:43:05,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:43:05,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:43:05,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:43:05,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:43:05,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:43:05,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:43:05,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:43:05,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:43:05,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:43:05,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:43:05,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:43:05,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:43:05,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:43:05,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:43:05,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:43:05,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:43:05,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:43:05,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:43:05,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:43:05,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:43:05,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:43:05,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:43:05,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:43:05,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:43:05,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:43:05,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:43:05,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:43:05,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:43:05,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:43:06,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:43:06,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:43:06,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:43:06,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:43:06,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:43:06,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:43:06,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:43:06,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:43:06,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:43:06,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:43:06,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:43:06,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:43:06,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:43:06,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:43:06,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:43:06,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:43:06,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:43:06,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:43:06,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:43:06,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:43:06,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:43:06,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:43:06,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:43:06,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:43:06,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:43:06,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:43:06,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:43:06,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:43:06,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:43:06,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:43:06,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:43:06,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:43:06,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:43:06,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:43:06,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:43:06,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:43:06,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:43:06,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:43:06,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:43:06,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:43:06,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:43:06,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:43:06,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:43:06,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:43:06,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:43:06,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:43:06,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:43:06,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:43:06,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:43:06,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:43:06,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:43:06,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:43:06,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:43:06,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:43:06,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:43:06,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:43:06,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:43:06,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:43:06,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:43:06,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:43:06,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:43:06,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:43:06,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:43:06,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:43:06,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:43:06,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:43:06,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:43:06,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:43:06,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:43:06,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:43:06,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:43:06,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:43:06,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:43:06,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:43:06,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:43:06,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:43:06,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:43:06,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:43:06,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:43:06,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:43:06,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:43:06,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:43:06,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:43:06,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:43:06,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:43:06,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:43:06,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:43:06,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:43:06,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:43:06,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:43:06,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:43:06,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:43:06,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:43:06,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:43:06,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:43:06,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:43:06,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:43:06,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:43:06,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:43:06,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:43:06,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:43:06,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:43:06,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:43:06,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:43:06,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:43:06,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:43:06,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:43:06,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:43:06,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:43:06,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:43:06,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:43:06,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:43:06,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:43:06,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:43:06,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:43:06,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:43:06,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:43:06,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:43:06,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:43:06,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:43:06,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:43:06,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:43:06,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:43:06,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:43:06,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:43:06,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:43:06,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:43:06,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:43:06,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:43:06,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:43:06,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:43:06,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:43:06,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:43:06,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:43:06,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:43:06,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:43:06,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:43:06,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:43:06,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:43:06,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:43:06,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:43:06,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:43:06,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:43:06,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:43:06,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:43:06,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:43:06,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:43:06,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:43:06,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:43:06,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:43:06,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:43:06,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:43:06,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:43:06,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:43:06,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:43:06,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:43:06,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:43:06,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:43:06,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:43:06,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:43:06,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:43:06,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:43:06,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:43:06,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:43:06,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:06,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:06,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:43:06,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:43:06,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:43:06,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:43:06,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:43:06,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:43:06,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:43:06,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:43:06,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:43:06,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:43:06,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:43:06,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:43:06,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:43:06,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:43:06,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:43:06,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:43:06,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:43:06,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:43:06,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:43:06,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:43:06,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:43:06,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:43:06,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:43:06,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:43:06,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:43:06,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:43:06,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:43:06,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:43:06,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:43:06,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:43:06,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:43:06,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:43:06,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:43:06,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:43:06,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:43:06,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:43:06,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:43:06,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:43:06,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:43:06,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:43:06,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:43:06,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:43:06,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:43:06,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:43:06,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:43:06,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:43:06,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:43:06,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:43:06,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:43:06,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:43:06,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:43:06,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:43:06,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:43:06,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:43:06,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:43:06,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:43:06,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:43:06,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:43:06,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:43:06,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:43:06,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:43:06,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:43:06,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:43:06,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:43:06,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:43:06,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:43:06,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:43:06,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:43:06,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:43:06,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:43:06,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:43:06,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:43:06,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:43:06,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:43:06,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:43:06,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:43:06,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:43:06,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:43:06,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:43:06,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:43:06,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:43:06,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:43:06,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:43:06,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:43:06,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:06,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:06,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:43:06,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:43:06,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:43:06,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:43:06,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:43:06,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:43:06,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:43:06,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:43:06,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:43:06,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:43:06,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:43:06,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:43:06,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:43:06,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:43:06,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:43:06,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:43:06,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:43:06,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:43:06,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:43:06,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:43:06,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:43:06,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:43:06,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:43:06,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:43:06,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:43:06,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:43:06,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:43:06,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:43:06,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:43:06,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:43:06,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:43:06,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:43:06,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:43:06,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:43:06,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:43:06,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:43:06,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:43:06,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:43:06,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:43:06,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:43:06,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:43:06,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:43:06,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:43:06,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:43:06,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:43:06,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:43:06,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:43:06,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:43:06,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:43:06,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:43:06,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:43:06,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:43:06,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:43:06,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:43:06,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:43:06,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:43:06,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:43:06,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:43:06,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:43:06,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:43:06,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:43:06,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:43:06,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:43:06,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:43:06,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:43:06,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:43:06,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:43:06,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:43:06,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:43:06,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:43:06,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:43:06,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:43:06,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:43:06,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:43:06,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:43:06,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:43:06,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:43:06,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:43:06,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:43:06,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:43:06,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:43:06,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:43:06,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:43:06,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:43:06,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:43:06,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:43:06,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:43:06,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:43:06,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:43:06,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:43:06,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:43:06,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:43:06,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:43:06,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:43:06,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:43:06,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:43:06,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:43:06,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:43:06,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:43:06,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:43:06,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:43:06,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:43:06,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:43:06,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:43:06,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:43:06,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:43:06,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:43:06,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:43:06,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:43:06,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:43:06,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:43:06,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:43:06,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:43:06,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:43:06,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:43:06,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:43:06,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:43:06,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:43:06,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:43:06,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:43:06,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:06,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:43:06,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:43:06,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:43:06,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:43:06,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:43:06,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:43:06,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:43:06,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:43:06,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:43:06,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:43:06,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:43:06,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:43:06,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:43:06,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:43:06,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:43:06,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:43:06,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:43:06,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:43:06,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:43:06,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:43:06,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:43:06,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:43:06,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:43:06,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:43:06,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:43:06,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:43:06,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:43:06,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:43:06,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:43:06,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:43:06,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:43:06,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:43:06,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:43:06,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:43:06,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:43:06,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:43:06,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:43:06,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:43:06,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:43:06,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:43:06,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:43:06,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:43:06,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:43:06,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:43:06,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:43:06,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:43:06,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:43:06,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:43:06,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:43:06,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:43:06,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:43:06,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:43:06,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:43:06,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:43:06,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:43:06,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:43:06,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:43:06,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:43:06,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:43:06,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:43:06,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:43:06,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:43:06,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:43:06,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:43:06,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:43:06,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:43:06,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:43:06,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:43:06,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:43:06,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:43:06,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:43:06,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:43:06,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:43:06,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:43:06,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:43:06,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:43:06,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:43:06,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:43:06,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:43:06,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:43:06,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:43:06,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:43:06,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:43:06,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:43:06,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:43:06,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:43:06,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:43:06,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:43:06,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:43:06,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:43:06,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:43:06,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:43:06,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:43:06,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:43:06,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:43:06,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:43:06,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:43:06,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:43:06,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:43:06,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:43:06,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:43:06,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:43:06,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:43:06,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:43:06,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:43:06,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:43:06,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:43:06,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:43:06,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:43:06,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:43:06,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:43:06,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:43:06,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:43:06,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:43:06,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:43:06,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:43:06,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:43:06,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:43:06,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:43:06,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:43:06,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:43:06,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:43:06,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:43:06,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:43:06,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:43:06,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:43:06,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:43:06,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:43:06,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:43:06,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:43:06,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:43:06,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:43:06,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:43:06,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:43:06,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:43:06,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:43:06,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:43:06,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:43:06,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:43:06,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:43:06,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:43:06,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:43:06,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:43:06,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:43:06,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:43:06,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:43:06,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:43:06,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:43:06,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:43:06,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:43:06,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:43:06,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:43:06,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:43:06,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:43:06,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:43:06,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:43:06,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:43:06,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:43:06,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:43:06,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:43:06,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:43:07,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:43:07,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:43:07,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:43:07,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:43:07,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:43:07,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:43:07,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:43:07,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:43:07,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:43:07,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:43:07,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:43:07,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:43:07,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:43:07,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:43:07,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:43:07,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:43:07,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:43:07,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:43:07,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:43:07,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:43:07,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:43:07,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:43:07,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:43:07,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:43:07,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:43:07,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:43:07,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:43:07,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:43:07,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:43:07,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:43:07,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:43:07,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:43:07,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:43:07,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:43:07,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:43:07,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:43:07,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:43:07,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:43:07,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:43:07,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:43:07,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:43:07,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:43:07,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:43:07,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:43:07,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:43:07,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:43:07,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:43:07,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:43:07,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:43:07,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:43:07,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:43:07,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:43:07,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:43:07,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:43:07,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:43:07,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:43:07,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:43:07,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:43:07,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:43:07,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:43:07,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:43:07,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:43:07,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:43:07,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:43:07,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:43:07,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:43:07,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:43:07,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:43:07,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:43:07,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:43:07,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:43:07,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:43:07,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:43:07,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:43:07,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:43:07,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:43:07,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:43:07,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:43:07,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:43:07,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:43:07,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:43:07,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:43:07,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:43:07,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:43:07,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:43:07,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:43:07,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:43:07,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:43:07,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:43:07,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:43:07,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:43:07,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:43:07,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:43:07,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:43:07,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:43:07,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:43:07,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:43:07,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:43:07,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:43:07,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:43:07,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:43:07,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:43:07,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:43:07,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:43:07,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:43:07,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:43:07,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:43:07,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:43:07,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:43:07,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:43:07,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:43:07,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:43:07,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:43:07,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:43:07,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:43:07,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:43:07,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:43:07,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:43:07,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:43:07,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:43:07,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:43:07,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:43:07,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:43:07,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:43:07,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:43:07,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:43:07,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:43:07,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:43:07,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:43:07,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:43:07,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:43:07,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:43:07,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:43:07,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:43:07,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:43:07,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:43:07,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:43:07,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:43:07,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:43:07,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:43:07,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:43:07,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:43:07,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:43:07,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:43:07,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:43:07,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:43:07,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:43:07,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:43:07,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:43:07,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:43:07,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:43:07,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:43:07,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:43:07,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:43:07,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:43:07,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:43:07,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:43:07,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:43:07,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:43:07,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:43:07,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:43:07,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:43:07,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:43:07,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:43:07,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:43:07,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:43:07,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:43:07,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:43:07,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:43:07,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:43:07,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:43:07,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:43:07,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:43:07,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:43:07,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:43:07,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:43:07,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:43:07,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:43:07,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:43:07,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:43:07,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:43:07,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:43:07,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:43:07,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:43:07,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:43:07,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:43:07,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:43:07,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:43:07,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:43:07,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:43:07,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:43:07,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:43:07,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:43:07,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:43:07,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:43:07,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:43:07,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:43:07,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:43:07,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:43:07,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:43:07,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:43:07,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:43:07,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:43:07,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:43:07,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:43:07,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:43:07,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:43:07,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:43:07,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:43:07,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:43:07,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:43:07,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:43:07,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:43:07,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:43:07,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:43:07,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:43:07,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:43:07,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:43:07,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:43:07,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:43:07,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:43:07,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:43:07,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:43:07,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:43:07,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:43:07,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:43:07,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:43:07,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:43:07,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:43:07,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:43:07,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:43:07,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:43:07,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:43:07,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:43:07,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:43:07,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:43:07,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:43:07,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:43:07,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:43:07,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:43:07,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:43:07,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:43:07,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:43:07,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:43:07,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:43:07,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:43:07,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:43:07,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:43:07,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:43:07,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:43:07,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:43:07,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:43:07,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:43:07,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:43:07,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:43:07,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:43:07,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:43:07,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:43:07,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:43:07,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:43:07,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:43:07,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:43:07,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:43:07,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:43:07,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:43:07,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:43:07,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:43:07,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:43:07,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:43:07,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:43:07,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:43:07,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:43:07,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:43:07,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:43:07,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:43:07,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:43:07,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:43:07,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:43:07,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:43:07,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:43:07,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:43:07,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:43:07,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:43:07,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:43:07,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:43:07,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:43:07,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:43:07,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:43:07,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:43:07,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:43:07,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:43:07,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:43:07,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:43:07,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:43:07,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:43:07,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:43:07,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:43:07,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:43:07,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:43:07,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:43:07,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:43:07,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:43:07,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:43:07,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:43:07,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:43:07,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:43:07,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:43:07,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:43:07,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:43:07,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:43:07,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:43:07,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:43:07,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:43:07,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:43:07,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:43:07,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:43:07,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:43:07,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:43:07,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:43:07,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:43:07,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:43:07,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:43:07,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:43:07,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:43:07,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:43:07,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:43:07,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:43:07,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:43:07,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:43:07,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:43:07,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:43:07,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:43:07,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:43:07,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:43:07,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:43:07,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:43:07,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:43:07,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:43:07,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:43:07,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:43:07,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:43:07,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:43:07,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:43:07,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:43:07,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:43:07,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:43:07,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:43:07,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:43:07,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:43:07,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:43:07,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:43:07,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:43:07,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:43:07,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:43:07,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:43:07,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:43:07,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:43:07,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:43:07,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:43:07,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:43:07,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:43:07,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:43:07,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:43:07,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:43:07,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:43:07,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:43:07,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:43:07,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:43:07,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:43:07,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:43:07,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:43:07,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:43:07,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:43:07,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:43:07,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:43:07,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:43:07,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:43:07,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:43:07,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:43:07,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:43:07,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:43:07,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:43:07,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:43:07,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:43:07,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:43:07,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:43:07,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:43:07,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:43:07,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:43:07,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:43:07,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:43:07,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:43:07,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:43:07,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:43:07,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:43:07,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:43:07,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:43:07,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:43:07,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:43:07,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:43:07,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:43:07,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:43:07,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:43:07,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:43:07,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:43:07,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:43:07,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:43:07,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:43:07,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:43:07,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:43:07,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:43:07,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:43:07,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:43:07,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:43:07,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:43:07,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:43:07,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:43:07,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:43:07,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:43:07,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:43:07,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:43:07,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:43:07,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:43:07,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:43:07,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:43:07,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:43:07,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:43:07,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:43:07,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:43:07,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:43:07,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:43:07,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:43:07,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:43:07,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:43:07,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:43:07,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:43:07,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:43:07,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:43:07,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:43:07,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:43:07,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:43:07,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:43:07,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:43:07,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:43:07,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:43:07,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:43:07,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:43:07,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:43:07,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:43:07,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:43:07,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:43:07,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:43:07,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:43:07,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:43:07,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:43:07,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:43:07,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:43:07,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:43:07,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:43:07,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:43:07,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:43:07,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:43:07,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:43:07,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:43:07,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:43:07,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:43:07,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:43:07,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:43:07,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:43:07,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:43:07,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:43:07,875 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:43:07,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:43:07,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:43:07,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:43:07,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:43:07,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:43:07,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:43:07,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:43:07,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:43:07,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:43:07,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:43:07,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:43:07,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:43:07,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:43:07,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:43:07,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:43:07,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:43:07,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:43:07,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:43:07,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:43:07,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:43:07,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:43:07,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:43:07,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:43:07,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:43:07,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:43:07,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:43:07,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:43:07,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:43:07,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:43:07,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:43:07,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:43:07,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:43:07,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:43:07,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:43:07,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:43:07,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:43:07,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:43:07,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:43:07,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:43:07,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:43:07,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:43:07,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:43:07,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:43:07,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:43:07,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:43:07,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:43:07,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:43:07,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:43:07,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:43:07,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:43:07,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:43:07,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:43:07,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:43:07,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:43:07,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:43:07,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:43:07,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:43:07,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:43:07,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:43:07,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:43:07,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:43:07,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:43:08,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:43:08,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:43:08,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:43:08,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:43:08,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:43:08,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:43:08,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:43:08,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:43:08,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:43:08,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:43:08,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:43:08,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:43:08,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:43:08,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:43:08,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:43:08,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:43:08,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:43:08,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:43:08,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:43:08,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:43:08,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:43:08,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:43:08,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:43:08,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:43:08,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:43:08,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:43:08,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:43:08,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:43:08,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:43:08,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:43:08,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:43:08,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:43:08,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:43:08,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:43:08,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:43:08,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:43:08,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:43:08,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:43:08,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:43:08,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:43:08,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:43:08,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:43:08,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:43:08,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:43:08,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:43:08,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:43:08,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:43:08,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:43:08,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:43:08,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:43:08,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:43:08,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:43:08,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:43:08,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:43:08,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:43:08,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:43:08,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:43:08,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:43:08,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:43:08,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:43:08,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:43:08,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:43:08,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:43:08,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:43:08,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:43:08,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:43:08,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:43:08,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:43:08,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:43:08,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:43:08,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:43:08,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:43:08,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:43:08,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:43:08,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:43:08,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:43:08,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:43:08,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:43:08,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:43:08,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:43:08,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:43:08,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:43:08,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:43:08,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:43:08,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:43:08,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:43:08,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:43:08,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:43:08,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:43:08,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:43:08,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:43:08,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:43:08,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:43:08,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:43:08,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:43:08,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:43:08,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:43:08,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:43:08,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:43:08,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:43:08,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:43:08,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:43:08,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:43:08,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:43:08,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:43:08,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:43:08,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:43:08,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:43:08,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:43:08,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:43:08,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:43:08,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:43:08,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:43:08,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:43:08,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:43:08,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:43:08,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:43:08,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:43:08,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:43:08,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:43:08,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:43:08,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:43:08,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:43:08,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:43:08,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:43:08,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:43:08,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:43:08,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:43:08,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:43:08,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:43:08,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:43:08,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:43:08,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:43:08,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:43:08,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:43:08,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:43:08,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:43:08,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:43:08,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:43:08,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:43:08,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:43:08,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:43:08,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:43:08,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:43:08,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:43:08,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:43:08,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:43:08,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:43:08,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:43:08,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:43:08,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:43:08,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:43:08,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:43:08,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:43:08,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:43:08,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:43:08,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:43:08,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:43:08,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:43:08,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:43:08,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:43:08,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:43:08,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:43:08,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:43:08,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:43:08,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:43:08,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:43:08,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:43:08,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:43:08,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:43:08,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:43:08,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:43:08,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:43:08,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:43:08,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:43:08,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:43:08,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:43:08,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:43:08,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:43:08,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:43:08,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:43:08,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:43:08,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:43:08,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:43:08,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:43:08,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:43:08,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:43:08,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:43:08,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:43:08,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:43:08,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:43:08,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:43:08,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:43:08,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:43:08,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:43:08,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:43:08,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:43:08,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:43:08,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:43:08,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:43:08,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:43:08,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:43:08,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:43:08,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:43:08,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:43:08,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:43:08,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:43:08,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:43:08,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:43:08,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:43:08,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:43:08,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:43:08,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:43:08,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:43:08,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:43:08,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:43:08,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:43:08,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:43:08,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:43:08,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:43:08,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:43:08,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:43:08,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:43:08,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:43:08,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:43:08,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:43:08,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:43:08,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:43:08,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:43:08,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:43:08,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:43:08,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:43:08,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:43:08,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:43:08,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:43:08,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:43:08,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:43:08,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:43:08,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:43:08,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:43:08,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:43:08,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:43:08,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:43:08,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:43:08,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:43:08,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:43:08,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:43:08,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:43:08,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:43:08,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:43:08,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:43:08,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:43:08,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:43:08,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:43:08,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:43:08,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:43:08,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:43:08,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:43:08,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:43:08,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:43:08,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:43:08,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:43:08,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:43:08,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:43:08,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:43:08,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:43:08,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:43:08,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:43:08,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:43:08,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:43:08,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:43:08,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:43:08,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:43:08,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:43:08,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:43:08,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:43:08,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:43:08,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:43:08,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:43:08,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:43:08,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:43:08,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:43:08,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:43:08,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:43:08,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:43:08,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:43:08,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:43:08,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:43:08,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:43:08,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:43:08,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:43:08,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:43:08,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:43:08,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:43:08,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:43:08,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:43:08,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:43:08,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:43:08,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:43:08,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:43:08,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:43:08,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:43:08,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:43:08,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:43:08,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:43:08,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:43:08,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:43:08,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:43:08,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:43:08,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:43:08,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:43:08,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:43:08,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:43:08,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:43:08,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:43:08,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:43:08,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:43:08,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:43:08,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:43:08,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:43:08,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:43:08,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:43:08,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:43:08,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:43:08,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:43:08,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:43:08,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:43:08,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:43:08,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:43:08,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:43:08,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:43:08,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:43:08,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:43:08,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:43:08,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:43:08,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:43:08,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:43:08,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:43:08,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:43:08,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:43:08,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:43:08,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:43:08,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:43:08,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:43:08,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:43:08,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:43:08,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:43:08,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:43:08,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:43:08,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:43:08,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:43:08,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:43:08,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:43:08,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:43:08,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:43:08,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:43:08,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:43:08,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:43:08,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:43:08,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:43:08,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:43:08,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:43:08,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:43:08,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:43:08,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:43:08,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:43:08,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:43:08,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:43:08,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:43:08,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:43:08,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:43:08,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:43:08,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:43:08,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:43:08,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:43:08,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:43:08,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:43:08,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:43:08,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:43:08,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:43:08,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:43:08,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:43:08,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:43:08,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:43:08,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:43:08,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:43:08,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:43:08,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:43:08,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:43:08,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:43:08,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:43:08,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:43:08,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:43:08,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:43:08,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:43:08,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:43:08,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:43:08,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:43:08,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:43:08,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:43:08,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:43:08,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:43:08,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:43:08,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:43:08,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:43:08,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:43:08,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:43:08,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:43:08,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:43:08,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:43:08,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:43:08,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:43:08,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:43:08,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:43:08,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:43:08,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:43:08,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:43:08,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:43:08,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:43:08,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:43:08,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:43:08,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:43:08,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:43:08,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:43:08,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:43:08,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:43:08,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:43:08,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:43:08,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:43:08,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:43:08,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:43:08,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:43:08,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:43:08,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:43:08,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:43:08,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:43:08,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:43:08,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:43:08,811 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:43:08,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:43:08,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:43:08,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:43:08,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:43:08,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:43:08,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:43:08,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:43:08,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:43:08,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:43:08,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:43:08,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:43:08,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:43:08,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:43:08,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:43:08,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:43:08,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:43:08,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:43:08,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:43:08,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:43:08,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:43:08,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:43:08,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:43:08,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:43:08,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:43:08,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:43:08,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:43:08,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:43:08,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:43:08,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:43:08,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:43:08,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:43:08,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:43:08,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:43:08,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:43:08,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:43:08,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:43:08,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:43:08,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:43:08,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:43:08,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:43:08,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:43:08,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:43:08,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:43:08,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:43:08,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:43:08,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:43:08,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:43:08,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:43:08,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:43:08,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:43:08,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:43:08,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:43:08,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:43:08,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:43:08,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:43:08,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:43:08,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:43:08,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:43:08,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:43:08,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:43:08,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:43:08,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:43:08,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:43:08,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:43:08,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:43:08,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:43:08,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:43:08,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:43:08,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:43:08,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:43:08,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:43:08,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:43:08,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:43:08,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:43:08,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:43:08,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:43:08,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:43:08,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:43:08,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:43:08,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:43:08,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:43:08,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:43:08,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:43:08,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:43:08,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:43:08,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:43:08,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:43:08,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:43:08,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:43:08,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:43:08,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:43:08,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:43:08,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:43:08,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:43:08,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:43:08,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:43:08,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:43:08,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:43:08,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:43:08,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:43:08,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:43:09,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:43:09,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:43:09,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:43:09,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:43:09,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:43:09,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:43:09,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:43:09,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:43:09,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:43:09,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:43:09,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:43:09,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:43:09,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:43:09,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:43:09,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:43:09,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:43:09,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:43:09,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:43:09,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:43:09,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:43:09,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:43:09,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:43:09,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:43:09,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:43:09,041 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:43:09,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:43:09,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:43:09,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:43:09,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:43:09,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:43:09,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:43:09,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:43:09,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:43:09,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:43:09,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:43:09,060 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:43:09,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:43:09,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:43:09,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:43:09,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:43:09,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:43:09,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:43:09,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:43:09,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:43:09,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:43:09,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:43:09,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:43:09,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:43:09,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:43:09,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:43:09,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:43:09,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:43:09,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:43:09,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:43:09,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:43:09,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:43:09,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:43:09,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:43:09,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:43:09,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:43:09,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:43:09,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:43:09,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:43:09,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:43:09,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:43:09,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:43:09,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:43:09,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:43:09,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:43:09,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:43:09,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:43:09,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:43:09,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:43:09,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:43:09,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:43:09,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:43:09,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:43:09,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:43:09,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:43:09,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:43:09,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:43:09,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:43:09,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:43:09,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:43:09,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:43:09,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:43:09,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:43:09,148 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:43:09,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:43:09,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:43:09,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:43:09,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:43:09,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:43:09,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:43:09,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:43:09,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:43:09,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:43:09,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:43:09,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:43:09,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:43:09,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:43:09,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:43:09,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:43:09,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:43:09,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:43:09,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:43:09,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:43:09,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:43:09,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:43:09,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:43:09,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:43:09,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:43:09,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:43:09,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:43:09,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:43:09,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:43:09,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:43:09,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:43:09,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:43:09,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:43:09,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:43:09,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:43:09,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:43:09,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:43:09,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:43:09,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:43:09,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:43:09,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:43:09,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:43:09,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:43:09,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:43:09,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:43:09,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:43:09,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:43:09,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:43:09,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:43:09,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:43:09,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:43:09,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:43:09,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:43:09,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:43:09,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:43:09,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:43:09,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:43:09,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:43:09,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:43:09,250 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:43:09,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:43:09,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:43:09,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:43:09,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:43:09,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:43:09,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:43:09,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:43:09,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:43:09,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:43:09,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:43:09,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:43:09,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:43:09,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:43:09,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:43:09,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:43:09,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:43:09,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:43:09,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:43:09,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:43:09,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:43:09,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:43:09,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:43:09,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:43:09,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:43:09,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:43:09,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:43:09,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:43:09,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:43:09,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:43:09,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:43:09,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:43:09,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:43:09,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:43:09,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:43:09,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:43:09,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:43:09,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:43:09,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:43:09,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:43:09,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:43:09,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:43:09,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:43:09,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:43:09,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:43:09,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:43:09,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:43:09,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:43:09,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:43:09,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:43:09,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:43:09,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:43:09,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:43:09,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:43:09,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:43:09,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:43:09,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:43:09,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:43:09,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:43:09,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:43:09,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:43:09,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:43:09,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:43:09,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:43:09,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:43:09,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:43:09,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:43:09,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:43:09,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:43:09,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:43:09,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:43:09,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:43:09,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:43:09,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:43:09,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:43:09,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:43:09,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:43:09,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:43:09,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:43:09,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:43:09,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:43:09,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:43:09,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:43:09,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:43:09,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:43:09,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:43:09,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:43:09,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:43:09,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:43:09,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:43:09,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:43:09,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:43:09,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:43:09,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:43:09,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:43:09,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:43:09,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:43:09,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:43:09,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:43:09,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:43:09,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:43:09,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:43:09,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:43:09,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:43:09,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:43:09,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:43:09,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:43:09,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:43:09,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:43:09,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:43:09,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:43:09,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:43:09,444 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:43:09,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:43:09,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:43:09,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:43:09,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:43:09,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:43:09,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:43:09,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:43:09,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:43:09,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:43:09,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:43:09,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:43:09,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:43:09,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:43:09,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:43:09,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:43:09,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:43:09,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:43:09,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:43:09,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:43:09,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:43:09,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:43:09,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:43:09,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:43:09,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:43:09,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:43:09,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:43:09,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:43:09,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:43:09,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:43:09,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:43:09,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:43:09,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:43:09,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:43:09,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:43:09,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:43:09,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:43:09,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:43:09,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:43:09,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:43:09,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:43:09,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:43:09,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:43:09,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:43:09,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:43:09,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:43:09,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:43:09,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:43:09,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:43:09,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:43:09,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:43:09,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:43:09,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:43:09,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:43:09,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:43:09,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:43:09,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:43:09,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:43:09,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:43:09,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:43:09,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:43:09,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:43:09,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:43:09,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:43:09,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:43:09,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:43:09,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:43:09,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:43:09,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:43:09,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:43:09,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:43:09,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:43:09,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:43:09,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:43:09,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:43:09,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:43:09,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:43:09,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:43:09,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:43:09,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:43:09,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:43:09,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:43:09,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:43:09,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:43:09,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:43:09,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:43:09,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:43:09,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:43:09,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:43:09,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:43:09,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:43:09,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:43:09,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:43:09,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:43:09,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:43:09,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:43:09,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:43:09,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:43:09,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:43:09,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:43:09,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:43:09,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:43:09,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:43:09,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:43:09,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:43:09,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:43:09,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:43:09,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:43:09,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:43:09,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:43:09,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:43:09,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:43:09,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:43:09,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:43:09,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:43:09,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:43:09,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:43:09,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:43:09,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:43:09,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:43:09,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:43:09,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:43:09,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:43:09,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:43:09,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:43:09,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:43:09,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:43:09,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:43:09,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:43:09,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:43:09,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:43:09,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:43:09,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:43:09,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:43:09,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:43:09,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:43:09,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:43:09,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:43:09,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:43:09,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:43:09,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:43:09,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:43:09,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:43:09,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:43:09,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:43:09,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:43:09,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:43:09,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:43:09,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:43:09,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:43:09,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:43:09,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:43:09,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:43:09,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:43:09,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:43:09,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:43:09,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:43:09,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:43:09,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:43:09,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:43:09,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:43:09,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:43:09,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:43:09,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:43:09,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:43:09,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:43:09,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:43:09,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:43:09,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:43:09,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:43:09,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:43:09,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:43:09,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:43:09,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:43:09,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:43:09,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:43:09,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:43:09,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:43:09,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:43:09,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:43:09,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:43:09,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:43:09,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:43:09,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:43:09,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:43:09,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:43:09,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:43:09,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:43:09,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:43:09,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:43:09,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:43:09,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:43:09,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:43:09,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:43:09,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:43:09,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:43:09,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:43:09,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:43:09,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:43:09,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:43:09,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:43:09,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:43:09,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:43:09,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:43:09,804 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:43:09,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:43:09,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:43:09,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:43:09,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:43:09,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:43:09,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:43:09,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:43:09,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:43:09,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:43:09,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:43:09,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:43:09,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:43:09,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:43:09,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:43:09,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:43:09,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:43:09,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:43:09,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:43:09,840 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:43:09,842 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:43:09,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:43:09,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:43:09,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:43:09,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:43:09,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:43:09,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:43:09,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:43:09,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:43:09,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:43:09,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:43:09,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:43:09,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:43:09,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:43:09,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:43:09,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:43:09,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:43:09,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:43:09,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:43:09,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:43:09,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:43:09,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:43:09,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:43:09,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:43:09,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:43:09,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:43:09,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:43:09,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:43:09,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:43:09,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:43:09,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:43:09,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:43:09,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:43:09,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:43:09,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:43:09,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:43:09,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:43:09,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:43:09,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:43:09,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:43:09,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:43:09,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:43:09,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:43:09,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:43:09,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:43:09,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:43:09,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:43:09,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:43:09,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:43:09,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:43:09,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:43:09,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:43:09,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:43:09,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:43:09,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:43:09,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:43:09,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:43:09,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:43:09,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:43:09,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:43:09,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:43:09,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:43:09,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:43:09,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:43:09,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:43:09,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:43:09,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:43:09,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:43:09,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:43:09,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:43:09,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:43:09,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:43:09,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:43:09,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:43:09,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:43:09,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:43:09,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:43:09,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:43:09,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:43:09,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:43:09,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:43:09,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:43:09,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:43:09,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:43:09,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:43:09,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:43:09,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:43:09,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:43:09,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:43:09,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:43:10,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:43:10,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:43:10,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:43:10,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:43:10,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:43:10,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:43:10,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:43:10,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:43:10,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:43:10,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:43:10,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:43:10,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:43:10,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:43:10,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:43:10,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:43:10,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:43:10,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:43:10,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:43:10,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:43:10,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:43:10,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:43:10,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:43:10,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:43:10,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:43:10,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:43:10,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:43:10,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:43:10,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:43:10,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:43:10,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:43:10,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:43:10,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:43:10,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:43:10,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:43:10,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:43:10,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:43:10,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:43:10,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:43:10,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:43:10,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:43:10,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:43:10,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:43:10,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:43:10,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:43:10,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:43:10,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:43:10,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:43:10,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:43:10,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:43:10,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:43:10,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:43:10,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:43:10,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:43:10,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:43:10,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:43:10,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:43:10,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:43:10,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:43:10,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:43:10,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:43:10,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:43:10,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:43:10,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:43:10,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:43:10,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:43:10,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:43:10,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:43:10,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:43:10,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:43:10,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:43:10,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:43:10,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:43:10,123 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:43:10,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:43:10,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:43:10,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:43:10,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:43:10,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:10,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:43:10,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:43:10,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:43:10,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:43:10,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:43:10,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:43:10,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:43:10,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:43:10,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:43:10,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:43:10,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:43:10,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:43:10,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:43:10,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:43:10,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:43:10,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:43:10,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:43:10,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:43:10,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:43:10,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:43:10,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:43:10,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:43:10,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:43:10,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:43:10,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:43:10,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:43:10,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:43:10,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:43:10,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:43:10,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:43:10,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:43:10,188 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:43:10,190 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:43:10,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:43:10,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:43:10,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:43:10,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:43:10,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:43:10,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:43:10,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:43:10,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:43:10,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:43:10,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:43:10,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:43:10,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:43:10,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:43:10,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:43:10,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:43:10,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:43:10,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:43:10,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:43:10,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:43:10,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:43:10,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:43:10,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:43:10,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:43:10,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:43:10,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:43:10,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:43:10,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:43:10,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:43:10,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:43:10,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:43:10,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:43:10,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:43:10,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:43:10,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:43:10,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:43:10,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:43:10,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:43:10,268 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:43:10,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:43:10,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:43:10,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:43:10,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:43:10,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:43:10,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:43:10,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:43:10,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:43:10,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:43:10,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:43:10,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:43:10,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:43:10,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:43:10,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:43:10,291 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:43:10,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:43:10,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:43:10,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:43:10,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:43:10,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:43:10,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:43:10,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:43:10,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:43:10,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:43:10,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:43:10,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:43:10,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:43:10,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:43:10,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:43:10,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:43:10,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:43:10,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:43:10,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:43:10,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:43:10,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:43:10,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:43:10,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:43:10,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:43:10,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:43:10,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:43:10,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:43:10,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:43:10,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:43:10,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:43:10,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:43:10,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:43:10,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:43:10,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:43:10,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:43:10,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:43:10,351 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:43:10,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:43:10,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:43:10,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:43:10,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:43:10,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:43:10,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:43:10,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:43:10,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:43:10,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:43:10,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:43:10,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:43:10,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:43:10,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:43:10,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:43:10,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:43:10,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:43:10,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:43:10,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:43:10,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:43:10,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:43:10,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:43:10,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:43:10,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:43:10,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:43:10,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:43:10,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:43:10,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:43:10,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:43:10,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:43:10,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:43:10,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:43:10,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:43:10,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:43:10,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:43:10,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:43:10,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:43:10,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:43:10,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:43:10,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:43:10,422 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:43:10,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:43:10,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:43:10,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:43:10,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:43:10,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:43:10,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:43:10,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:43:10,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:43:10,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:43:10,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:43:10,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:43:10,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:43:10,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:43:10,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:43:10,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:43:10,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:43:10,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:43:10,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:43:10,452 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:43:10,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:43:10,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:43:10,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:43:10,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:43:10,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:43:10,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:43:10,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:43:10,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:43:10,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:43:10,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:43:10,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:43:10,473 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:43:10,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:43:10,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:43:10,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:43:10,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:43:10,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:43:10,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:43:10,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:43:10,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:43:10,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:43:10,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:43:10,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:43:10,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:43:10,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:43:10,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:43:10,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:43:10,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:43:10,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:43:10,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:43:10,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:43:10,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:43:10,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:43:10,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:43:10,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:43:10,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:43:10,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:43:10,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:43:10,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:43:10,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:43:10,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:43:10,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:43:10,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:43:10,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:43:10,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:43:10,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:43:10,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:43:10,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:43:10,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:43:10,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:43:10,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:43:10,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:43:10,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:43:10,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:43:10,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:43:10,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:43:10,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:43:10,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:43:10,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:43:10,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:43:10,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:43:10,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:43:10,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:43:10,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:43:10,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:43:10,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:43:10,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:43:10,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:43:10,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:43:10,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:43:10,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:43:10,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:43:10,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:43:10,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:43:10,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:43:10,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:43:10,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:43:10,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:43:10,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:43:10,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:43:10,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:43:10,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:43:10,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:43:10,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:43:10,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:43:10,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:43:10,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:43:10,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:43:10,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:43:10,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:43:10,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:43:10,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:43:10,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:43:10,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:43:10,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:43:10,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:43:10,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:43:10,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:43:10,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:43:10,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:43:10,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:43:10,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:43:10,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:43:10,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:43:10,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:43:10,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:43:10,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:43:10,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:43:10,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:43:10,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:43:10,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:43:10,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:43:10,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:43:10,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:43:10,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:43:10,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:43:10,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:43:10,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:43:10,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:43:10,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:43:10,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:43:10,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:43:10,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:43:10,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM16/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:43:10,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ACONF.txt' 2026-02-10T11:43:10,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_AHB21.txt' 2026-02-10T11:43:10,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ALKBDE10.txt' 2026-02-10T11:43:10,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_Amino20x4.txt' 2026-02-10T11:43:10,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76.txt' 2026-02-10T11:43:10,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BH76RC.txt' 2026-02-10T11:43:10,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHDIV10.txt' 2026-02-10T11:43:10,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BHPERI.txt' 2026-02-10T11:43:10,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BSR36.txt' 2026-02-10T11:43:10,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_BUT14DIOL.txt' 2026-02-10T11:43:10,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_CDIE20.txt' 2026-02-10T11:43:10,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_DIPCS10.txt' 2026-02-10T11:43:10,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_FH51.txt' 2026-02-10T11:43:10,685 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21EA.txt' 2026-02-10T11:43:10,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G21IP.txt' 2026-02-10T11:43:10,687 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_G2RC.txt' 2026-02-10T11:43:10,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HAL59.txt' 2026-02-10T11:43:10,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_HEAVY28.txt' 2026-02-10T11:43:10,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ICONF.txt' 2026-02-10T11:43:10,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_IL16.txt' 2026-02-10T11:43:10,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_INV24.txt' 2026-02-10T11:43:10,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_ISO34.txt' 2026-02-10T11:43:10,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_MB16-43.txt' 2026-02-10T11:43:10,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PA26.txt' 2026-02-10T11:43:10,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PArel.txt' 2026-02-10T11:43:10,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PNICO23.txt' 2026-02-10T11:43:10,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_PX13.txt' 2026-02-10T11:43:10,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_RSE43.txt' 2026-02-10T11:43:10,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S22.txt' 2026-02-10T11:43:10,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_S66.txt' 2026-02-10T11:43:10,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_SIE4x4.txt' 2026-02-10T11:43:10,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_TAUT15.txt' 2026-02-10T11:43:10,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_W4-11.txt' 2026-02-10T11:43:10,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WATER27.txt' 2026-02-10T11:43:10,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_WCPT18.txt' 2026-02-10T11:43:10,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/CHARGE_MULTIPLICITY/CHARGE_MULTIPLICITY_YBDE18.txt' 2026-02-10T11:43:10,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt' 2026-02-10T11:43:10,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:43:10,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:43:10,718 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt' 2026-02-10T11:43:10,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:43:10,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:43:10,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2026-02-10T11:43:10,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2026-02-10T11:43:10,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt' 2026-02-10T11:43:10,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2026-02-10T11:43:10,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt' 2026-02-10T11:43:10,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:43:10,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2026-02-10T11:43:10,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:43:10,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:43:10,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:43:10,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:43:10,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:43:10,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2026-02-10T11:43:10,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2026-02-10T11:43:10,738 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2026-02-10T11:43:10,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2026-02-10T11:43:10,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2026-02-10T11:43:10,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:43:10,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PArel.txt' 2026-02-10T11:43:10,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2026-02-10T11:43:10,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2026-02-10T11:43:10,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:43:10,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S22.txt' 2026-02-10T11:43:10,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2026-02-10T11:43:10,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:43:10,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:43:10,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:43:10,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:43:10,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:43:10,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2026-02-10T11:43:10,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:43:10,762 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:43:10,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:43:10,765 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:43:10,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:43:10,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:43:10,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:43:10,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:43:10,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:43:10,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:43:10,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:43:10,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:43:10,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:43:10,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:43:10,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:43:10,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:43:10,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:43:10,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:43:10,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:43:10,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:43:10,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:43:10,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:43:10,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:43:10,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:43:10,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:43:10,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:43:10,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:43:10,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:43:10,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:43:10,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:43:10,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:43:10,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:43:10,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:43:10,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:43:10,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:43:10,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:43:10,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:43:10,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:43:10,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:43:10,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:43:10,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:43:10,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:43:10,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:43:10,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:43:10,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:43:10,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:43:10,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:43:10,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:43:10,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:43:10,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:43:10,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:43:10,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:43:10,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:43:10,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:43:10,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:43:10,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:43:10,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:43:10,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:43:10,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:43:10,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:43:10,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:43:10,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:43:10,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:43:10,871 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:43:10,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:43:10,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:43:10,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:43:10,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:43:10,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:43:10,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:43:10,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:43:10,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:43:10,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:43:10,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:43:10,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:43:10,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:43:10,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:43:10,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:43:10,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:43:10,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:43:10,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:43:10,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:43:10,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:43:10,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:43:10,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:43:10,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:43:10,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:43:10,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:43:10,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:43:10,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:43:10,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:43:10,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:43:10,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:43:10,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:43:10,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:43:10,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:43:10,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:43:10,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:43:10,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:43:10,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:43:10,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:43:10,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:43:10,938 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:43:10,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:43:10,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:43:10,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:43:10,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:43:10,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:43:10,949 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:43:10,951 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:43:10,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:43:10,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:43:10,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:43:10,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:43:10,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:43:10,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:43:10,963 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:43:10,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:43:10,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:43:10,968 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:43:10,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:43:10,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:43:10,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:43:10,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:43:10,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:43:10,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:43:10,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:43:10,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:43:10,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:43:10,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:43:10,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:43:10,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:43:10,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:43:10,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:43:10,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:43:10,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:43:10,994 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:43:10,996 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:43:10,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:43:10,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:43:11,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:43:11,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:43:11,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:43:11,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:43:11,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:43:11,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:43:11,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:43:11,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:43:11,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:43:11,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:43:11,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:43:11,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:43:11,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:43:11,027 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:43:11,029 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:43:11,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:43:11,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:43:11,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:43:11,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:43:11,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:43:11,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:43:11,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:43:11,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:43:11,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:43:11,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:43:11,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:43:11,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:43:11,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:43:11,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:43:11,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:43:11,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:43:11,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:43:11,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:43:11,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:43:11,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:43:11,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:43:11,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:43:11,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:43:11,073 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:43:11,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:43:11,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:43:11,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:43:11,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:43:11,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:43:11,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:43:11,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:43:11,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:43:11,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:43:11,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:43:11,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:43:11,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:43:11,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:43:11,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:43:11,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:43:11,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:43:11,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:43:11,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:43:11,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:43:11,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:43:11,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:43:11,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:43:11,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:43:11,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:43:11,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:43:11,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:43:11,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:43:11,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:43:11,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:43:11,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:43:11,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:43:11,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:43:11,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:43:11,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:43:11,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:43:11,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:43:11,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:43:11,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:43:11,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:43:11,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:43:11,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:43:11,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:43:11,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:43:11,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:43:11,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:43:11,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:43:11,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:43:11,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:43:11,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:43:11,166 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:43:11,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:43:11,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:43:11,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:43:11,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:43:11,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:43:11,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:43:11,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:43:11,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:43:11,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:43:11,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:43:11,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:43:11,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:43:11,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:43:11,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:43:11,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:43:11,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:43:11,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:43:11,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:43:11,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:43:11,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:43:11,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:43:11,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:43:11,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:43:11,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:43:11,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:43:11,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:43:11,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:43:11,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:43:11,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:43:11,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:43:11,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:43:11,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:43:11,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:43:11,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:43:11,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:43:11,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:43:11,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:43:11,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:43:11,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:43:11,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:43:11,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:43:11,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:43:11,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:43:11,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:43:11,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:43:11,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:43:11,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:43:11,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:43:11,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:43:11,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:43:11,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:43:11,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:43:11,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:43:11,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:43:11,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:43:11,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:43:11,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:43:11,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:43:11,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:43:11,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:43:11,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:43:11,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:43:11,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:43:11,281 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:43:11,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:43:11,284 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:43:11,286 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:43:11,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:43:11,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:43:11,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:43:11,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:43:11,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:43:11,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:43:11,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:43:11,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:43:11,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:43:11,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:43:11,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:43:11,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:43:11,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:43:11,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:43:11,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:43:11,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:43:11,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:43:11,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:43:11,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:43:11,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:43:11,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:43:11,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:43:11,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:43:11,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:11,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:11,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:43:11,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:43:11,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:43:11,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:43:11,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:43:11,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:43:11,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:43:11,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:43:11,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:43:11,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:43:11,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:43:11,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:43:11,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:43:11,353 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:43:11,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:43:11,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:43:11,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:43:11,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:43:11,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:43:11,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:43:11,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:43:11,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:43:11,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:43:11,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:43:11,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:43:11,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:43:11,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:43:11,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:43:11,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:43:11,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:43:11,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:43:11,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:43:11,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:43:11,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:43:11,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:43:11,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:43:11,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:43:11,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:43:11,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:43:11,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:43:11,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:43:11,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:43:11,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:43:11,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:43:11,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:43:11,411 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:43:11,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:43:11,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:43:11,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:43:11,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:43:11,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:43:11,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:43:11,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:43:11,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:43:11,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:43:11,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:43:11,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:43:11,431 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:43:11,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:43:11,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:43:11,436 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:43:11,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:43:11,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:43:11,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:43:11,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:43:11,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:43:11,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:43:11,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:43:11,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:43:11,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:43:11,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:43:11,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:43:11,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:43:11,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:43:11,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:43:11,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:43:11,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:43:11,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:43:11,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:43:11,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:43:11,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:43:11,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:43:11,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:43:11,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:43:11,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:11,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:11,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:43:11,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:43:11,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:43:11,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:43:11,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:43:11,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:43:11,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:43:11,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:43:11,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:43:11,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:43:11,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:43:11,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:43:11,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:43:11,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:43:11,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:43:11,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:43:11,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:43:11,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:43:11,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:43:11,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:43:11,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:43:11,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:43:11,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:43:11,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:43:11,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:43:11,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:43:11,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:43:11,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:43:11,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:43:11,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:43:11,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:43:11,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:43:11,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:43:11,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:43:11,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:43:11,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:43:11,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:43:11,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:43:11,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:43:11,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:43:11,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:43:11,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:43:11,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:43:11,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:43:11,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:43:11,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:43:11,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:43:11,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:43:11,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:43:11,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:43:11,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:43:11,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:43:11,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:43:11,569 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:43:11,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:43:11,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:43:11,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:43:11,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:43:11,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:43:11,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:43:11,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:43:11,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:43:11,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:43:11,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:43:11,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:43:11,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:43:11,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:43:11,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:43:11,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:43:11,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:43:11,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:43:11,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:43:11,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:43:11,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:43:11,605 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:43:11,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:43:11,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:43:11,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:43:11,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:43:11,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:43:11,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:43:11,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:43:11,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:43:11,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:43:11,623 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:43:11,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:43:11,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:43:11,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:43:11,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:43:11,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:43:11,634 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:43:11,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:43:11,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:43:11,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:43:11,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:43:11,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:43:11,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:43:11,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:43:11,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:43:11,650 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:43:11,652 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:43:11,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:43:11,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:43:11,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:43:11,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:43:11,660 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:43:11,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:43:11,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:43:11,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:43:11,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:43:11,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:43:11,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:43:11,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:43:11,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:43:11,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:43:11,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:43:11,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:43:11,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:43:11,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:43:11,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:43:11,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:11,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:43:11,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:43:11,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:43:11,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:43:11,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:43:11,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:43:11,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:43:11,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:43:11,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:43:11,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:43:11,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:43:11,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:43:11,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:43:11,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:43:11,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:43:11,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:43:11,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:43:11,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:43:11,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:43:11,720 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:43:11,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:43:11,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:43:11,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:43:11,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:43:11,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:43:11,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:43:11,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:43:11,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:43:11,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:43:11,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:43:11,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:43:11,740 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:43:11,742 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:43:11,744 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:43:11,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:43:11,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:43:11,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:43:11,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:43:11,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:43:11,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:43:11,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:43:11,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:43:11,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:43:11,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:43:11,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:43:11,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:43:11,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:43:11,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:43:11,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:43:11,773 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:43:11,775 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:43:11,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:43:11,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:43:11,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:43:11,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:43:11,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:43:11,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:43:11,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:43:11,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:43:11,790 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:43:11,792 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:43:11,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:43:11,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:43:11,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:43:11,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:43:11,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:43:11,802 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:43:11,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:43:11,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:43:11,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:43:11,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:43:11,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:43:11,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:43:11,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:43:11,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:43:11,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:43:11,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:43:11,820 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:43:11,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:43:11,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:43:11,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:43:11,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:43:11,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:43:11,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:43:11,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:43:11,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:43:11,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:43:11,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:43:11,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:43:11,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:43:11,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:43:11,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:43:11,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:43:11,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:43:11,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:43:11,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:43:11,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:43:11,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:43:11,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:43:11,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:43:11,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:43:11,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:43:11,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:43:11,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:43:11,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:43:11,869 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:43:11,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:43:11,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:43:11,873 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:43:11,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:43:11,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:43:11,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:43:11,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:43:11,883 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:43:11,885 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:43:11,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:43:11,890 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:43:11,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:43:11,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:43:11,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:43:11,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:43:11,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:43:11,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:43:11,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:43:11,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:43:11,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:43:11,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:43:11,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:43:11,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:43:11,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:43:11,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:43:11,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:43:11,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:43:11,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:43:11,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:43:11,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:43:11,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:43:11,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:43:11,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:43:11,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:43:11,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:43:11,933 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:43:11,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:43:11,936 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:43:11,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:43:11,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:43:11,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:43:11,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:43:11,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:43:11,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:43:11,947 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:43:11,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:43:11,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:43:11,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:43:11,953 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:43:11,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:43:11,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:43:11,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:43:11,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:43:11,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:43:11,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:43:11,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:43:11,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:43:11,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:43:11,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:43:11,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:43:11,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:43:11,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:43:11,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:43:11,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:43:11,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:43:11,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:43:11,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:43:11,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:43:11,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:43:11,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:43:11,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:43:11,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:43:11,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:43:11,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:43:11,998 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:43:12,000 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:43:12,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:43:12,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:43:12,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:43:12,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:43:12,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:43:12,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:43:12,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:43:12,013 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:43:12,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:43:12,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:43:12,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:43:12,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:43:12,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:43:12,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:43:12,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:43:12,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:43:12,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:43:12,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:43:12,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:43:12,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:43:12,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:43:12,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:43:12,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:43:12,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:43:12,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:43:12,043 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:43:12,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:43:12,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:43:12,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:43:12,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:43:12,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:43:12,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:43:12,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:43:12,058 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:43:12,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:43:12,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:43:12,063 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:43:12,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:43:12,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:43:12,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:43:12,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:43:12,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:43:12,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:43:12,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:43:12,075 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:43:12,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:43:12,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:43:12,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:43:12,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:43:12,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:43:12,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:43:12,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:43:12,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:43:12,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:43:12,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:43:12,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:43:12,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:43:12,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:43:12,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:43:12,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:43:12,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:43:12,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:43:12,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:43:12,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:43:12,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:43:12,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:43:12,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:43:12,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:43:12,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:43:12,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:43:12,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:43:12,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:43:12,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:43:12,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:43:12,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:43:12,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:43:12,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:43:12,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:43:12,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:43:12,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:43:12,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:43:12,141 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:43:12,143 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:43:12,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:43:12,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:43:12,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:43:12,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:43:12,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:43:12,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:43:12,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:43:12,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:43:12,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:43:12,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:43:12,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:43:12,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:43:12,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:43:12,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:43:12,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:43:12,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:43:12,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:43:12,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:43:12,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:43:12,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:43:12,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:43:12,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:43:12,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:43:12,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:43:12,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:43:12,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:43:12,197 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:43:12,199 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:43:12,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:43:12,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:43:12,205 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:43:12,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:43:12,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:43:12,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:43:12,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:43:12,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:43:12,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:43:12,217 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:43:12,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:43:12,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:43:12,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:43:12,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:43:12,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:43:12,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:43:12,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:43:12,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:43:12,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:43:12,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:43:12,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:43:12,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:43:12,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:43:12,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:43:12,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:43:12,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:43:12,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:43:12,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:43:12,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:43:12,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:43:12,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:43:12,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:43:12,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:43:12,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:43:12,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:43:12,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:43:12,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:43:12,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:43:12,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:43:12,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:43:12,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:43:12,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:43:12,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:43:12,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:43:12,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:43:12,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:43:12,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:43:12,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:43:12,288 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:43:12,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:43:12,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:43:12,293 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:43:12,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:43:12,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:43:12,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:43:12,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:43:12,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:43:12,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:43:12,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:43:12,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:43:12,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:43:12,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:43:12,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:43:12,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:43:12,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:43:12,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:43:12,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:43:12,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:43:12,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:43:12,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:43:12,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:43:12,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:43:12,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:43:12,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:43:12,338 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:43:12,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:43:12,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:43:12,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:43:12,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:43:12,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:43:12,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:43:12,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:43:12,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:43:12,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:43:12,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:43:12,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:43:12,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:43:12,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:43:12,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:43:12,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:43:12,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:43:12,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:43:12,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:43:12,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:43:12,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:43:12,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:43:12,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:43:12,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:43:12,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:43:12,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:43:12,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:43:12,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:43:12,388 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:43:12,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:43:12,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:43:12,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:43:12,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:43:12,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:43:12,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:43:12,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:43:12,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:43:12,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:43:12,406 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:43:12,408 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:43:12,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:43:12,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:43:12,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:43:12,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:43:12,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:43:12,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:43:12,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:43:12,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:43:12,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:43:12,424 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:43:12,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:43:12,429 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:43:12,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:43:12,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:43:12,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:43:12,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:43:12,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:43:12,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:43:12,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:43:12,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:43:12,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:43:12,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:43:12,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:43:12,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:43:12,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:43:12,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:43:12,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:43:12,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:43:12,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:43:12,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:43:12,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:43:12,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:43:12,463 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:43:12,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:43:12,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:43:12,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:43:12,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:43:12,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:43:12,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:43:12,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:43:12,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:43:12,479 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:43:12,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:43:12,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:43:12,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:43:12,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:43:12,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:43:12,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:43:12,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:43:12,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:43:12,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:43:12,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:43:12,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:43:12,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:43:12,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:43:12,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:43:12,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:43:12,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:43:12,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:43:12,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:43:12,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:43:12,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:43:12,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:43:12,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:43:12,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:43:12,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:43:12,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:43:12,523 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:43:12,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:43:12,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:43:12,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:43:12,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:43:12,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:43:12,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:43:12,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:43:12,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:43:12,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:43:12,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:43:12,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:43:12,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:43:12,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:43:12,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:43:12,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:43:12,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:43:12,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:43:12,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:43:12,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:43:12,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:43:12,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:43:12,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:43:12,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:43:12,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:43:12,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:43:12,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:43:12,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:43:12,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:43:12,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:43:12,578 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:43:12,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:43:12,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:43:12,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:43:12,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:43:12,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:43:12,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:43:12,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:43:12,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:43:12,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:43:12,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:43:12,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:43:12,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:43:12,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:43:12,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:43:12,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:43:12,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:43:12,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:43:12,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:43:12,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:43:12,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:43:12,616 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:43:12,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:43:12,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:43:12,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:43:12,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:43:12,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:43:12,625 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:43:12,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:43:12,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:43:12,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:43:12,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:43:12,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:43:12,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:43:12,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:43:12,641 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:43:12,643 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:43:12,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:43:12,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:43:12,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:43:12,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:43:12,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:43:12,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:43:12,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:43:12,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:43:12,658 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:43:12,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:43:12,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:43:12,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:43:12,665 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:43:12,667 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:43:12,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:43:12,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:43:12,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:43:12,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:43:12,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:43:12,679 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:43:12,681 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:43:12,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:43:12,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:43:12,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:43:12,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:43:12,689 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:43:12,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:43:12,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:43:12,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:43:12,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:43:12,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:43:12,701 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:43:12,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:43:12,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:43:12,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:43:12,707 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:43:12,709 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:43:12,711 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:43:12,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:43:12,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:43:12,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:43:12,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:43:12,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:43:12,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:43:12,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:43:12,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:43:12,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:43:12,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:43:12,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:43:12,734 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:43:12,736 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:43:12,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:43:12,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:43:12,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:43:12,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:43:12,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:43:12,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:43:12,749 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:43:12,751 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:43:12,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:43:12,754 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:43:12,756 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:43:12,758 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:43:12,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:43:12,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:43:12,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:43:12,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:43:12,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:43:12,767 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:43:12,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:43:12,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:43:12,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:43:12,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:43:12,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:43:12,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:43:12,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:43:12,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:43:12,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:43:12,785 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:43:12,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:43:12,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:43:12,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:43:12,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:43:12,796 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:43:12,798 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:43:12,800 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:43:12,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:43:12,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:43:12,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:43:12,807 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:43:12,809 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:43:12,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:43:12,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:43:12,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:43:12,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:43:12,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:43:12,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:43:12,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:43:12,822 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:43:12,824 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:43:12,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:43:12,829 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:43:12,831 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:43:12,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:43:12,834 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:43:12,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:43:12,838 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:43:12,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:43:12,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:43:12,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:43:12,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:43:12,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:43:12,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:43:12,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:43:12,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:43:12,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:43:12,856 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:43:12,858 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:43:12,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:43:12,861 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:43:12,863 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:43:12,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:43:12,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:43:12,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:43:12,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:43:12,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:43:12,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:43:12,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:43:12,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:43:12,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:43:12,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:43:12,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:43:12,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:43:12,888 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:43:12,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:43:12,892 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:43:12,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:43:12,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:43:12,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:43:12,901 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:43:12,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:43:12,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:43:12,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:43:12,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:43:12,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:43:12,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:43:12,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:43:12,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:43:12,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:43:12,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:43:12,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:43:12,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:43:12,924 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:43:12,926 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:43:12,928 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:43:12,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:43:12,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:43:12,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:43:12,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:43:12,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:43:12,940 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:43:12,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:43:12,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:43:12,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:43:12,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:43:12,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:43:12,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:43:12,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:43:12,955 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:43:12,957 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:43:12,959 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:43:12,961 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:43:12,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:43:12,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:43:12,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:43:12,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:43:12,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:43:12,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:43:12,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:43:12,976 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:43:12,978 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:43:12,980 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:43:12,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:43:12,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:43:12,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:43:12,987 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:43:12,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:43:12,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:43:12,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:43:12,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:43:12,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:43:12,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:43:13,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:43:13,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:43:13,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:43:13,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:43:13,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:43:13,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:43:13,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:43:13,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:43:13,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:43:13,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:43:13,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:43:13,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:43:13,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:43:13,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:43:13,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:43:13,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:43:13,032 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:43:13,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:43:13,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:43:13,038 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:43:13,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:43:13,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:43:13,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:43:13,046 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:43:13,048 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:43:13,050 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:43:13,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:43:13,053 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:43:13,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:43:13,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:43:13,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:43:13,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:43:13,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:43:13,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:43:13,065 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:43:13,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:43:13,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:43:13,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:43:13,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:43:13,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:43:13,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:43:13,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:43:13,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:43:13,083 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:43:13,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:43:13,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:43:13,088 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:43:13,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:43:13,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:43:13,093 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:43:13,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:43:13,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:43:13,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:43:13,101 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:43:13,103 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:43:13,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:43:13,108 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:43:13,110 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:43:13,112 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:43:13,114 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:43:13,116 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:43:13,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:43:13,119 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:43:13,121 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:43:13,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:43:13,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:43:13,127 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:43:13,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:43:13,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:43:13,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:43:13,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:43:13,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:43:13,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:43:13,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:43:13,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:43:13,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:43:13,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:43:13,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:43:13,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:43:13,151 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:43:13,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:43:13,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:43:13,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:43:13,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:43:13,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:43:13,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:43:13,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:43:13,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:43:13,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:43:13,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:43:13,173 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:43:13,175 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:43:13,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:43:13,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:43:13,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:43:13,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:43:13,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:43:13,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:43:13,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:43:13,192 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:43:13,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:43:13,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:43:13,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:43:13,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:43:13,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:43:13,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:43:13,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:43:13,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:43:13,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:43:13,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:43:13,215 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:43:13,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:43:13,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:43:13,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:43:13,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:43:13,223 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:43:13,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:43:13,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:43:13,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:43:13,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:43:13,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:43:13,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:43:13,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:43:13,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:43:13,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:43:13,241 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:43:13,243 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:43:13,245 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:43:13,247 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:43:13,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:43:13,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:43:13,252 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:43:13,254 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:43:13,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:43:13,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:43:13,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:43:13,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:43:13,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:43:13,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:43:13,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:43:13,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:43:13,271 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:43:13,273 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:43:13,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:43:13,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:43:13,279 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:43:13,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:43:13,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:43:13,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:43:13,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:43:13,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:43:13,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:43:13,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:43:13,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:43:13,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:43:13,296 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:43:13,298 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:43:13,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:43:13,301 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:43:13,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:43:13,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:43:13,306 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:43:13,308 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:43:13,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:43:13,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:43:13,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:43:13,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:43:13,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:43:13,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:43:13,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:43:13,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:43:13,326 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:43:13,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:43:13,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:43:13,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:43:13,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:43:13,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:43:13,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:43:13,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:43:13,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:43:13,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:43:13,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:43:13,349 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:43:13,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:43:13,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:43:13,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:43:13,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:43:13,358 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:43:13,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:43:13,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:43:13,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:43:13,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:43:13,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:43:13,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:43:13,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:43:13,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:43:13,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:43:13,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:43:13,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:43:13,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:43:13,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:43:13,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:43:13,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:43:13,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:43:13,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:43:13,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:43:13,393 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:43:13,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:43:13,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:43:13,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:43:13,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:43:13,403 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:43:13,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:43:13,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:43:13,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:43:13,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:43:13,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:43:13,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:43:13,417 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:43:13,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:43:13,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:43:13,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:43:13,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:43:13,427 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:43:13,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:43:13,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:43:13,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:43:13,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:43:13,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:43:13,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:43:13,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:43:13,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:43:13,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:43:13,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:43:13,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:43:13,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:43:13,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:43:13,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:43:13,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:43:13,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:43:13,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:43:13,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:43:13,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:43:13,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:43:13,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:43:13,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:43:13,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:43:13,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:43:13,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:43:13,475 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:43:13,477 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:43:13,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:43:13,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:43:13,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:43:13,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:43:13,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:43:13,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:43:13,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:43:13,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:43:13,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:43:13,496 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:43:13,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:43:13,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:43:13,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:43:13,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:43:13,505 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:43:13,507 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:43:13,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:43:13,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:43:13,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:43:13,514 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:43:13,516 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:43:13,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:43:13,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:43:13,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:43:13,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:43:13,526 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:43:13,528 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:43:13,530 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:43:13,532 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:43:13,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:43:13,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:43:13,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:43:13,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:43:13,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:43:13,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:43:13,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:43:13,548 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:43:13,550 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:43:13,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:43:13,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:43:13,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:43:13,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:43:13,559 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:43:13,561 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:43:13,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:43:13,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:43:13,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:43:13,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:43:13,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:43:13,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:43:13,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:43:13,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:43:13,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:43:13,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:43:13,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:43:13,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:43:13,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:43:13,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:43:13,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:43:13,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:43:13,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:43:13,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:43:13,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:43:13,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:43:13,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:43:13,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:43:13,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:43:13,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:43:13,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:43:13,612 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:43:13,614 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:43:13,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:43:13,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:43:13,621 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:43:13,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:43:13,627 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:43:13,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:43:13,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:43:13,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:43:13,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:43:13,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:43:13,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:43:13,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:43:13,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:43:13,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:43:13,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:43:13,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:43:13,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:43:13,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:43:13,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:43:13,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:43:13,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:43:13,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:43:13,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:43:13,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:43:13,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:43:13,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:43:13,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:43:13,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:43:13,677 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:43:13,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:43:13,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:43:13,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:43:13,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:43:13,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:43:13,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:43:13,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:43:13,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:43:13,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:43:13,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:43:13,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:43:13,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:43:13,704 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:43:13,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:43:13,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:43:13,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:43:13,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:43:13,714 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:43:13,716 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:43:13,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:43:13,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:43:13,723 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:43:13,725 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:43:13,728 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:43:13,730 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:43:13,732 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:43:13,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:43:13,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:43:13,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:43:13,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:43:13,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:43:13,746 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:43:13,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:43:13,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:43:13,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:43:13,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:43:13,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:43:13,760 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:43:13,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:43:13,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:43:13,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:43:13,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:43:13,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:43:13,769 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:43:13,771 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:43:13,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:43:13,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:43:13,777 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:43:13,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:43:13,780 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:43:13,782 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:43:13,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:43:13,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:43:13,787 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:43:13,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:43:13,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:43:13,793 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:43:13,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:43:13,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:43:13,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:43:13,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:43:13,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:43:13,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:43:13,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:43:13,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:43:13,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:43:13,813 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:43:13,815 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:43:13,817 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:43:13,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:43:13,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:43:13,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:43:13,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:43:13,826 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:43:13,828 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:43:13,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:43:13,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:43:13,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:43:13,836 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:43:13,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:43:13,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:43:13,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:43:13,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:43:13,845 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:43:13,847 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:43:13,849 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:43:13,851 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:43:13,853 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:43:13,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:43:13,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:43:13,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:43:13,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:43:13,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:43:13,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:43:13,866 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:43:13,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:43:13,870 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:43:13,872 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:43:13,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:43:13,877 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:43:13,879 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:43:13,881 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:43:13,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:43:13,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:43:13,886 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:43:13,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:43:13,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:43:13,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:43:13,893 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:43:13,895 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:43:13,897 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:43:13,899 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:43:13,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:43:13,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:43:13,903 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:43:13,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:43:13,906 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:43:13,908 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:43:13,909 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:43:13,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:43:13,912 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:43:13,914 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:43:13,916 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:43:13,917 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:43:13,919 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:43:13,921 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:43:13,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:43:13,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:43:13,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:43:13,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:43:13,930 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:43:13,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:43:13,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:43:13,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:43:13,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:43:13,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:43:13,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:43:13,942 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:43:13,944 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:43:13,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:43:13,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:43:13,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:43:13,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:43:13,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:43:13,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:43:13,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:43:13,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:43:13,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:43:13,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:43:13,966 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:43:13,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:43:13,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:43:13,971 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:43:13,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:43:13,974 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:43:13,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:43:13,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:43:13,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:43:13,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:43:13,983 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:43:13,985 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:43:13,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:43:13,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:43:13,990 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:43:13,992 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:43:13,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:43:13,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:43:13,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:43:13,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:43:14,001 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:43:14,003 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:43:14,005 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:43:14,007 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:43:14,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:43:14,010 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:43:14,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:43:14,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:43:14,016 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:43:14,018 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:43:14,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:43:14,021 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:43:14,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:43:14,024 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:43:14,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:43:14,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:43:14,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:43:14,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:43:14,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:43:14,035 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:43:14,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:43:14,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:43:14,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:43:14,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:43:14,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:43:14,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:43:14,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:43:14,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:43:14,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:43:14,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:43:14,055 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:43:14,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:43:14,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:43:14,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:43:14,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:43:14,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:43:14,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:43:14,067 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:43:14,070 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:43:14,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:43:14,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:43:14,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:43:14,078 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:43:14,080 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:43:14,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:43:14,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:43:14,085 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:43:14,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:43:14,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:43:14,091 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:43:14,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:43:14,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:43:14,096 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:43:14,098 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:43:14,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:43:14,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:43:14,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:43:14,106 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:43:14,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:43:14,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:43:14,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:43:14,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:43:14,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:43:14,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:43:14,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:43:14,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:43:14,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:43:14,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:43:14,125 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:43:14,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:43:14,130 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:43:14,132 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:43:14,134 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:43:14,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:43:14,137 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:43:14,139 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:43:14,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:43:14,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:43:14,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:43:14,146 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:43:14,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:43:14,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:43:14,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:43:14,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:43:14,154 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:43:14,156 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:43:14,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:43:14,159 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:43:14,161 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:43:14,163 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:43:14,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:43:14,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:43:14,169 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:43:14,171 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:43:14,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:43:14,176 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:43:14,178 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:43:14,180 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:43:14,182 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:43:14,184 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:43:14,186 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:43:14,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:43:14,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:43:14,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:43:14,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:43:14,195 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:43:14,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:43:14,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:43:14,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:43:14,201 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:43:14,203 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:43:14,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:43:14,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:43:14,207 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:43:14,209 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:43:14,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:43:14,212 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:43:14,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:43:14,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:43:14,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:43:14,220 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:43:14,222 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:43:14,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:43:14,225 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:43:14,227 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:43:14,229 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:43:14,231 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:43:14,233 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:43:14,235 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:43:14,237 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:43:14,239 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:43:14,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:43:14,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:43:14,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:43:14,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:43:14,248 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:43:14,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:43:14,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:43:14,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:43:14,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:43:14,256 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:43:14,258 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:43:14,260 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:43:14,262 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:43:14,264 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:43:14,266 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:43:14,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:43:14,269 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:43:14,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:43:14,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:43:14,274 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:43:14,275 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:43:14,277 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:43:14,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:43:14,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:43:14,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:43:14,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:43:14,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:43:14,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:43:14,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:43:14,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:43:14,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:43:14,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:43:14,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:43:14,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:43:14,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:43:14,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:43:14,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:43:14,304 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:43:14,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:43:14,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:43:14,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:43:14,311 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:43:14,313 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:43:14,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:43:14,316 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:43:14,318 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:43:14,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:43:14,321 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:43:14,323 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:43:14,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:43:14,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:43:14,329 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:43:14,331 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:43:14,333 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:43:14,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:43:14,336 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:43:14,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:43:14,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:43:14,340 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:43:14,342 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:43:14,344 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:43:14,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:43:14,347 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:43:14,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:43:14,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:43:14,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:43:14,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:43:14,356 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:43:14,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:43:14,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:43:14,361 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:43:14,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:43:14,364 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:43:14,366 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:43:14,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:43:14,369 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:43:14,371 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:43:14,373 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:43:14,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:43:14,376 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:43:14,378 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:43:14,380 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:43:14,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:43:14,383 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:43:14,385 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:43:14,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:43:14,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:43:14,390 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:43:14,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:43:14,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:43:14,396 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:43:14,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:43:14,399 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:43:14,401 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:43:14,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:43:14,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:43:14,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:43:14,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:43:14,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:43:14,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:43:14,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:43:14,413 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:43:14,415 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:43:14,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:43:14,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:43:14,420 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:43:14,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:43:14,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:43:14,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:43:14,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:43:14,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:43:14,434 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:43:14,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:43:14,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:43:14,439 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:43:14,441 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:43:14,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:43:14,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:43:14,447 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:43:14,449 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:43:14,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:43:14,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:43:14,455 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:43:14,457 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:43:14,459 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:43:14,461 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:43:14,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:43:14,465 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:43:14,468 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:43:14,470 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:43:14,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:43:14,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:43:14,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:43:14,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:43:14,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:43:14,481 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:43:14,483 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:43:14,485 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:43:14,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:43:14,488 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:43:14,490 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:43:14,492 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:43:14,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:43:14,495 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:43:14,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:43:14,499 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:43:14,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:43:14,502 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:43:14,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:43:14,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:43:14,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:43:14,509 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:43:14,511 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:43:14,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:43:14,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:43:14,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:43:14,519 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:43:14,521 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:43:14,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:43:14,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:43:14,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:43:14,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:43:14,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:43:14,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:43:14,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:43:14,535 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:43:14,537 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:43:14,539 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:43:14,541 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:43:14,543 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:43:14,545 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:43:14,547 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:43:14,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:43:14,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:43:14,552 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:43:14,554 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:43:14,556 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:43:14,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:43:14,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:43:14,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:43:14,563 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:43:14,565 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:43:14,567 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:43:14,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:43:14,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:43:14,572 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:43:14,574 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:43:14,576 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:43:14,577 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:43:14,579 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:43:14,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:43:14,582 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:43:14,584 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:43:14,586 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:43:14,588 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:43:14,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:43:14,591 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:43:14,593 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:43:14,595 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:43:14,597 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:43:14,598 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:43:14,600 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:43:14,602 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:43:14,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:43:14,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:43:14,607 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:43:14,609 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:43:14,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:43:14,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:43:14,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:43:14,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:43:14,619 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:43:14,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:43:14,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:43:14,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:43:14,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:43:14,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:43:14,629 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:43:14,631 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:43:14,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:43:14,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:43:14,636 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:43:14,638 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:43:14,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:43:14,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:43:14,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:43:14,646 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:43:14,648 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:43:14,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:43:14,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:43:14,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:43:14,655 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:43:14,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:43:14,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:43:14,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:43:14,663 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:43:14,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:43:14,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:43:14,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:43:14,670 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:43:14,672 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:43:14,674 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:43:14,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:43:14,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:43:14,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:43:14,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:43:14,684 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:43:14,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:43:14,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:43:14,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:43:14,692 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:43:14,694 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:43:14,696 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:43:14,698 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:43:14,700 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:43:14,702 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:43:14,703 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:43:14,705 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:43:14,706 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:43:14,708 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:43:14,710 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:43:14,712 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:43:14,713 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:43:14,715 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:43:14,717 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:43:14,719 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:43:14,721 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:43:14,722 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:43:14,724 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:43:14,726 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:43:14,727 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:43:14,729 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:43:14,731 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:43:14,733 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:43:14,735 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:43:14,737 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:43:14,739 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:43:14,741 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:43:14,743 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:43:14,745 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:43:14,747 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:43:14,748 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:43:14,750 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:43:14,752 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:43:14,753 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:43:14,755 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:43:14,757 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:43:14,759 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:43:14,761 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:43:14,763 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:43:14,764 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:43:14,766 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:43:14,768 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:43:14,770 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:43:14,772 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:43:14,774 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:43:14,776 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:43:14,778 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:43:14,779 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:43:14,781 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:43:14,783 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:43:14,784 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:43:14,786 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:43:14,788 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:43:14,789 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:43:14,791 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:43:14,794 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:43:14,795 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:43:14,797 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:43:14,799 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:43:14,801 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:43:14,803 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:43:14,805 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:43:14,806 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:43:14,808 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:43:14,810 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:43:14,812 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:43:14,814 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:43:14,816 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:43:14,818 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:43:14,819 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:43:14,821 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:43:14,823 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:43:14,825 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:43:14,827 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:43:14,830 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:43:14,832 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:43:14,833 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:43:14,835 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:43:14,837 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:43:14,839 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:43:14,841 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:43:14,843 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:43:14,844 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:43:14,846 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:43:14,848 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:43:14,850 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:43:14,852 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:43:14,854 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:43:14,855 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:43:14,857 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:43:14,859 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:43:14,860 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:43:14,862 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:43:14,864 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:43:14,865 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:43:14,867 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:43:14,868 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:43:14,874 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:43:14,876 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:43:14,878 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:43:14,880 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:43:14,882 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:43:14,884 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:43:14,887 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:43:14,889 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:43:14,891 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:43:14,894 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:43:14,896 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:43:14,898 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:43:14,900 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:43:14,902 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:43:14,904 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:43:14,905 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:43:14,907 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:43:14,910 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:43:14,911 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:43:14,913 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:43:14,915 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:43:14,918 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:43:14,920 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:43:14,922 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:43:14,923 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:43:14,925 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:43:14,927 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:43:14,929 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:43:14,931 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:43:14,932 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:43:14,934 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:43:14,935 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:43:14,937 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:43:14,939 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:43:14,941 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:43:14,943 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:43:14,945 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:43:14,946 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:43:14,948 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:43:14,950 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:43:14,952 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:43:14,954 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:43:14,956 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:43:14,958 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:43:14,960 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:43:14,962 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:43:14,964 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:43:14,965 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:43:14,967 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:43:14,969 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:43:14,970 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:43:14,972 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:43:14,973 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:43:14,975 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:43:14,977 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:43:14,979 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:43:14,981 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:43:14,982 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:43:14,984 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:43:14,986 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:43:14,988 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:43:14,989 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:43:14,991 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:43:14,993 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:43:14,995 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:43:14,997 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:43:14,999 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:43:15,002 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:43:15,004 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:43:15,006 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:43:15,008 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:43:15,009 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:43:15,011 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:43:15,012 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:43:15,014 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:43:15,015 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:43:15,017 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:43:15,019 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:43:15,020 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:43:15,022 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:43:15,023 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:43:15,025 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:43:15,026 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:43:15,028 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:43:15,030 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:43:15,031 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:43:15,033 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:43:15,034 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:43:15,036 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:43:15,037 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:43:15,039 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:43:15,040 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:43:15,042 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:43:15,044 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:43:15,045 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:43:15,047 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:43:15,049 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:43:15,051 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:43:15,052 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:43:15,054 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:43:15,056 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:43:15,057 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:43:15,059 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:43:15,061 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:43:15,062 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:43:15,064 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:43:15,066 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:43:15,068 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:43:15,069 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:43:15,071 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:43:15,072 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:43:15,074 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:43:15,076 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:43:15,077 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:43:15,079 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:43:15,081 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:43:15,082 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:43:15,084 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:43:15,086 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:43:15,087 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:43:15,089 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:43:15,090 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:43:15,092 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:43:15,094 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:43:15,095 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:43:15,097 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:43:15,099 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:43:15,100 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:43:15,102 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:43:15,104 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:43:15,105 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:43:15,107 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:43:15,109 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:43:15,111 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:43:15,113 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:43:15,115 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:43:15,117 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:43:15,118 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:43:15,120 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:43:15,122 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:43:15,124 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:43:15,126 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:43:15,128 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:43:15,129 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:43:15,131 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:43:15,133 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:43:15,135 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:43:15,136 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:43:15,138 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:43:15,140 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:43:15,142 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:43:15,144 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:43:15,145 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:15,147 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:43:15,149 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:43:15,150 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:43:15,152 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:43:15,153 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:43:15,155 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:43:15,157 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:43:15,158 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:43:15,160 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:43:15,162 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:43:15,164 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:43:15,165 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:43:15,167 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:43:15,168 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:43:15,170 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:43:15,172 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:43:15,174 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:43:15,177 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:43:15,179 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:43:15,181 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:43:15,183 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:43:15,185 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:43:15,187 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:43:15,189 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:43:15,191 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:43:15,193 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:43:15,194 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:43:15,196 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:43:15,198 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:43:15,200 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:43:15,202 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:43:15,204 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:43:15,206 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:43:15,208 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:43:15,210 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:43:15,211 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:43:15,213 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:43:15,214 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:43:15,216 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:43:15,218 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:43:15,219 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:43:15,221 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:43:15,224 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:43:15,226 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:43:15,228 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:43:15,230 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:43:15,232 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:43:15,234 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:43:15,236 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:43:15,238 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:43:15,240 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:43:15,242 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:43:15,244 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:43:15,246 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:43:15,249 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:43:15,251 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:43:15,253 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:43:15,255 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:43:15,257 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:43:15,259 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:43:15,261 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:43:15,263 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:43:15,265 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:43:15,267 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:43:15,270 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:43:15,272 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:43:15,276 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:43:15,278 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:43:15,280 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:43:15,282 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:43:15,283 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:43:15,285 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:43:15,287 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:43:15,289 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:43:15,290 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:43:15,292 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:43:15,294 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:43:15,295 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:43:15,297 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:43:15,299 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:43:15,300 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:43:15,302 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:43:15,303 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:43:15,305 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:43:15,307 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:43:15,309 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:43:15,310 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:43:15,312 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:43:15,314 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:43:15,315 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:43:15,317 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:43:15,319 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:43:15,320 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:43:15,322 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:43:15,324 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:43:15,325 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:43:15,327 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:43:15,328 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:43:15,330 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:43:15,332 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:43:15,334 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:43:15,335 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:43:15,337 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:43:15,339 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:43:15,341 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:43:15,343 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:43:15,345 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:43:15,346 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:43:15,348 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:43:15,350 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:43:15,352 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:43:15,354 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:43:15,355 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:43:15,357 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:43:15,359 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:43:15,360 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:43:15,362 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:43:15,363 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:43:15,365 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:43:15,367 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:43:15,368 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:43:15,370 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:43:15,372 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:43:15,374 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:43:15,375 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:43:15,377 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:43:15,379 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:43:15,381 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:43:15,382 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:43:15,384 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:43:15,386 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:43:15,387 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:43:15,389 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:43:15,391 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:43:15,392 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:43:15,394 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:43:15,395 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:43:15,397 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:43:15,398 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:43:15,400 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:43:15,402 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:43:15,404 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:43:15,405 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:43:15,407 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:43:15,409 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:43:15,410 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:43:15,412 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:43:15,414 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:43:15,416 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:43:15,418 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:43:15,419 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:43:15,421 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:43:15,423 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:43:15,425 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:43:15,426 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:43:15,428 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:43:15,430 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:43:15,432 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:43:15,433 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:43:15,435 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:43:15,437 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:43:15,438 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:43:15,440 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:43:15,442 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:43:15,443 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:43:15,445 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:43:15,446 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:43:15,448 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:43:15,450 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:43:15,451 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:43:15,453 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:43:15,454 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:43:15,456 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:43:15,458 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:43:15,460 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:43:15,462 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:43:15,464 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:43:15,466 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:43:15,467 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:43:15,469 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:43:15,471 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:43:15,472 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:43:15,474 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:43:15,476 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:43:15,478 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:43:15,480 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:43:15,482 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:43:15,484 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:43:15,486 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:43:15,487 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:43:15,489 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:43:15,491 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:43:15,493 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:43:15,494 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:43:15,497 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:43:15,498 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:43:15,500 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:43:15,501 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:43:15,503 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:43:15,504 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:43:15,506 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:43:15,508 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:43:15,510 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:43:15,512 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:43:15,513 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:43:15,515 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:43:15,517 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:43:15,518 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:43:15,520 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:43:15,522 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:43:15,524 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:43:15,525 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:43:15,527 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:43:15,529 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:43:15,531 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:43:15,533 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:43:15,534 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:43:15,536 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:43:15,538 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:43:15,540 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:43:15,542 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:43:15,544 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:43:15,546 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:43:15,549 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:43:15,551 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:43:15,553 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:43:15,555 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:43:15,557 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:43:15,558 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:43:15,560 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:43:15,562 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:43:15,564 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:43:15,566 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:43:15,568 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:43:15,570 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:43:15,571 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:43:15,573 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:43:15,575 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:43:15,580 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:43:15,581 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:43:15,583 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:43:15,585 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:43:15,587 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:43:15,589 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:43:15,590 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:43:15,592 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:43:15,594 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:43:15,596 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:43:15,599 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:43:15,601 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:43:15,603 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:43:15,604 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:43:15,606 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:43:15,608 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:43:15,610 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:43:15,611 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:43:15,613 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:43:15,615 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:43:15,617 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:43:15,618 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:43:15,620 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:43:15,622 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:43:15,624 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:43:15,626 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:43:15,628 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:43:15,630 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:43:15,632 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:43:15,633 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:43:15,635 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:43:15,637 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:43:15,639 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:43:15,640 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:43:15,642 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:43:15,644 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:43:15,645 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:43:15,647 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:43:15,649 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:43:15,651 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:43:15,653 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:43:15,654 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:43:15,656 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:43:15,657 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:43:15,659 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:43:15,661 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:43:15,662 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:43:15,664 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:43:15,666 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:43:15,668 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:43:15,669 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:43:15,671 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:43:15,673 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:43:15,675 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:43:15,676 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:43:15,678 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:43:15,680 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:43:15,682 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:43:15,683 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:43:15,686 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:43:15,688 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:43:15,690 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:43:15,691 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:43:15,693 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:43:15,695 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:43:15,697 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:43:15,699 adding 'xcbm/GMTKN55_Dataset/GMTKN55_SLIM20/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:43:15,702 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ACONF.txt' 2026-02-10T11:43:15,703 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ADIM6.txt' 2026-02-10T11:43:15,705 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AHB21.txt' 2026-02-10T11:43:15,706 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_AL2X6.txt' 2026-02-10T11:43:15,707 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALK8.txt' 2026-02-10T11:43:15,709 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ALKBDE10.txt' 2026-02-10T11:43:15,710 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_Amino20x4.txt' 2026-02-10T11:43:15,712 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76.txt' 2026-02-10T11:43:15,713 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BH76RC.txt' 2026-02-10T11:43:15,714 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHDIV10.txt' 2026-02-10T11:43:15,716 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHPERI.txt' 2026-02-10T11:43:15,717 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BHROT27.txt' 2026-02-10T11:43:15,718 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BSR36.txt' 2026-02-10T11:43:15,720 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_BUT14DIOL.txt' 2026-02-10T11:43:15,721 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_C60ISO.txt' 2026-02-10T11:43:15,722 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CARBHB12.txt' 2026-02-10T11:43:15,723 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CDIE20.txt' 2026-02-10T11:43:15,725 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_CHB6.txt' 2026-02-10T11:43:15,726 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DARC.txt' 2026-02-10T11:43:15,727 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DC13.txt' 2026-02-10T11:43:15,728 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_DIPCS10.txt' 2026-02-10T11:43:15,730 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_FH51.txt' 2026-02-10T11:43:15,731 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21EA.txt' 2026-02-10T11:43:15,732 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G21IP.txt' 2026-02-10T11:43:15,733 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_G2RC.txt' 2026-02-10T11:43:15,735 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HAL59.txt' 2026-02-10T11:43:15,736 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVY28.txt' 2026-02-10T11:43:15,737 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_HEAVYSB11.txt' 2026-02-10T11:43:15,739 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ICONF.txt' 2026-02-10T11:43:15,740 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IDISP.txt' 2026-02-10T11:43:15,741 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_IL16.txt' 2026-02-10T11:43:15,742 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_INV24.txt' 2026-02-10T11:43:15,744 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISO34.txt' 2026-02-10T11:43:15,745 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_ISOL24.txt' 2026-02-10T11:43:15,746 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MB16-43.txt' 2026-02-10T11:43:15,748 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_MCONF.txt' 2026-02-10T11:43:15,749 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_NBPRC.txt' 2026-02-10T11:43:15,750 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PA26.txt' 2026-02-10T11:43:15,752 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PArel.txt' 2026-02-10T11:43:15,753 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PCONF21.txt' 2026-02-10T11:43:15,754 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PNICO23.txt' 2026-02-10T11:43:15,756 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_PX13.txt' 2026-02-10T11:43:15,757 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RC21.txt' 2026-02-10T11:43:15,758 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RG18.txt' 2026-02-10T11:43:15,759 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_RSE43.txt' 2026-02-10T11:43:15,761 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S22.txt' 2026-02-10T11:43:15,762 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_S66.txt' 2026-02-10T11:43:15,764 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SCONF.txt' 2026-02-10T11:43:15,765 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SIE4x4.txt' 2026-02-10T11:43:15,767 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_SLIM05.txt' 2026-02-10T11:43:15,768 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_TAUT15.txt' 2026-02-10T11:43:15,770 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_UPU23.txt' 2026-02-10T11:43:15,771 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_W4-11.txt' 2026-02-10T11:43:15,773 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WATER27.txt' 2026-02-10T11:43:15,774 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_WCPT18.txt' 2026-02-10T11:43:15,775 adding 'xcbm/GMTKN55_Dataset/STOCHIOMETRY/STOCHIOMETRY_YBDE18.txt' 2026-02-10T11:43:15,779 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_G/struc.xyz' 2026-02-10T11:43:15,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/B_T/struc.xyz' 2026-02-10T11:43:15,782 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+t+g-/struc.xyz' 2026-02-10T11:43:15,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-g-/struc.xyz' 2026-02-10T11:43:15,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_g+x-t+/struc.xyz' 2026-02-10T11:43:15,787 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ggg/struc.xyz' 2026-02-10T11:43:15,789 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtg/struc.xyz' 2026-02-10T11:43:15,791 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_gtt/struc.xyz' 2026-02-10T11:43:15,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_t+g+x-/struc.xyz' 2026-02-10T11:43:15,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgg/struc.xyz' 2026-02-10T11:43:15,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_tgt/struc.xyz' 2026-02-10T11:43:15,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_ttt/struc.xyz' 2026-02-10T11:43:15,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-g-/struc.xyz' 2026-02-10T11:43:15,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/H_x+g-x+/struc.xyz' 2026-02-10T11:43:15,804 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GG/struc.xyz' 2026-02-10T11:43:15,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_GX/struc.xyz' 2026-02-10T11:43:15,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TG/struc.xyz' 2026-02-10T11:43:15,809 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ACONF/P_TT/struc.xyz' 2026-02-10T11:43:15,812 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD2/struc.xyz' 2026-02-10T11:43:15,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD3/struc.xyz' 2026-02-10T11:43:15,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD4/struc.xyz' 2026-02-10T11:43:15,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD5/struc.xyz' 2026-02-10T11:43:15,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD6/struc.xyz' 2026-02-10T11:43:15,821 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AD7/struc.xyz' 2026-02-10T11:43:15,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM2/struc.xyz' 2026-02-10T11:43:15,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM3/struc.xyz' 2026-02-10T11:43:15,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM4/struc.xyz' 2026-02-10T11:43:15,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM5/struc.xyz' 2026-02-10T11:43:15,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM6/struc.xyz' 2026-02-10T11:43:15,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ADIM6/AM7/struc.xyz' 2026-02-10T11:43:15,836 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1/struc.xyz' 2026-02-10T11:43:15,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10/struc.xyz' 2026-02-10T11:43:15,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10A/struc.xyz' 2026-02-10T11:43:15,841 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/10B/struc.xyz' 2026-02-10T11:43:15,843 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11/struc.xyz' 2026-02-10T11:43:15,845 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11A/struc.xyz' 2026-02-10T11:43:15,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/11B/struc.xyz' 2026-02-10T11:43:15,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12/struc.xyz' 2026-02-10T11:43:15,850 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12A/struc.xyz' 2026-02-10T11:43:15,852 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/12B/struc.xyz' 2026-02-10T11:43:15,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13/struc.xyz' 2026-02-10T11:43:15,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13A/struc.xyz' 2026-02-10T11:43:15,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/13B/struc.xyz' 2026-02-10T11:43:15,859 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14/struc.xyz' 2026-02-10T11:43:15,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14A/struc.xyz' 2026-02-10T11:43:15,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/14B/struc.xyz' 2026-02-10T11:43:15,863 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15/struc.xyz' 2026-02-10T11:43:15,865 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15A/struc.xyz' 2026-02-10T11:43:15,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/15B/struc.xyz' 2026-02-10T11:43:15,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16/struc.xyz' 2026-02-10T11:43:15,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16A/struc.xyz' 2026-02-10T11:43:15,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/16B/struc.xyz' 2026-02-10T11:43:15,873 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17/struc.xyz' 2026-02-10T11:43:15,875 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17A/struc.xyz' 2026-02-10T11:43:15,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/17B/struc.xyz' 2026-02-10T11:43:15,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18/struc.xyz' 2026-02-10T11:43:15,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18A/struc.xyz' 2026-02-10T11:43:15,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/18B/struc.xyz' 2026-02-10T11:43:15,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19/struc.xyz' 2026-02-10T11:43:15,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19A/struc.xyz' 2026-02-10T11:43:15,888 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/19B/struc.xyz' 2026-02-10T11:43:15,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1A/struc.xyz' 2026-02-10T11:43:15,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/1B/struc.xyz' 2026-02-10T11:43:15,893 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2/struc.xyz' 2026-02-10T11:43:15,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20/struc.xyz' 2026-02-10T11:43:15,896 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20A/struc.xyz' 2026-02-10T11:43:15,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/20B/struc.xyz' 2026-02-10T11:43:15,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21/struc.xyz' 2026-02-10T11:43:15,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21A/struc.xyz' 2026-02-10T11:43:15,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/21B/struc.xyz' 2026-02-10T11:43:15,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2A/struc.xyz' 2026-02-10T11:43:15,906 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/2B/struc.xyz' 2026-02-10T11:43:15,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3/struc.xyz' 2026-02-10T11:43:15,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3A/struc.xyz' 2026-02-10T11:43:15,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/3B/struc.xyz' 2026-02-10T11:43:15,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4/struc.xyz' 2026-02-10T11:43:15,914 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4A/struc.xyz' 2026-02-10T11:43:15,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/4B/struc.xyz' 2026-02-10T11:43:15,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5/struc.xyz' 2026-02-10T11:43:15,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5A/struc.xyz' 2026-02-10T11:43:15,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/5B/struc.xyz' 2026-02-10T11:43:15,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6/struc.xyz' 2026-02-10T11:43:15,924 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6A/struc.xyz' 2026-02-10T11:43:15,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/6B/struc.xyz' 2026-02-10T11:43:15,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7/struc.xyz' 2026-02-10T11:43:15,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7A/struc.xyz' 2026-02-10T11:43:15,931 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/7B/struc.xyz' 2026-02-10T11:43:15,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8/struc.xyz' 2026-02-10T11:43:15,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8A/struc.xyz' 2026-02-10T11:43:15,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/8B/struc.xyz' 2026-02-10T11:43:15,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9/struc.xyz' 2026-02-10T11:43:15,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9A/struc.xyz' 2026-02-10T11:43:15,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AHB21/9B/struc.xyz' 2026-02-10T11:43:15,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2cl6/struc.xyz' 2026-02-10T11:43:15,944 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2f6/struc.xyz' 2026-02-10T11:43:15,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2h6/struc.xyz' 2026-02-10T11:43:15,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me4/struc.xyz' 2026-02-10T11:43:15,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me5/struc.xyz' 2026-02-10T11:43:15,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/al2me6/struc.xyz' 2026-02-10T11:43:15,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alcl3/struc.xyz' 2026-02-10T11:43:15,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alf3/struc.xyz' 2026-02-10T11:43:15,955 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alh3/struc.xyz' 2026-02-10T11:43:15,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme2/struc.xyz' 2026-02-10T11:43:15,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/AL2X6/alme3/struc.xyz' 2026-02-10T11:43:15,960 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li+/struc.xyz' 2026-02-10T11:43:15,962 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2/struc.xyz' 2026-02-10T11:43:15,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch2n_2/struc.xyz' 2026-02-10T11:43:15,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li2_ch4/struc.xyz' 2026-02-10T11:43:15,966 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li3_me/struc.xyz' 2026-02-10T11:43:15,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_c/struc.xyz' 2026-02-10T11:43:15,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li4_me4/struc.xyz' 2026-02-10T11:43:15,971 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li5_ch/struc.xyz' 2026-02-10T11:43:15,973 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li8/struc.xyz' 2026-02-10T11:43:15,975 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_ch2n/struc.xyz' 2026-02-10T11:43:15,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_h/struc.xyz' 2026-02-10T11:43:15,978 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_me/struc.xyz' 2026-02-10T11:43:15,980 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/li_na_h2/struc.xyz' 2026-02-10T11:43:15,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na+/struc.xyz' 2026-02-10T11:43:15,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2/struc.xyz' 2026-02-10T11:43:15,984 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na2_h2/struc.xyz' 2026-02-10T11:43:15,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALK8/na8/struc.xyz' 2026-02-10T11:43:15,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/be/struc.xyz' 2026-02-10T11:43:15,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/bef/struc.xyz' 2026-02-10T11:43:15,992 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/beo/struc.xyz' 2026-02-10T11:43:15,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/ca/struc.xyz' 2026-02-10T11:43:15,995 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/cao/struc.xyz' 2026-02-10T11:43:15,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/f/struc.xyz' 2026-02-10T11:43:16,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/h/struc.xyz' 2026-02-10T11:43:16,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/hf/struc.xyz' 2026-02-10T11:43:16,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/k/struc.xyz' 2026-02-10T11:43:16,005 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/kf/struc.xyz' 2026-02-10T11:43:16,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/li/struc.xyz' 2026-02-10T11:43:16,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lif/struc.xyz' 2026-02-10T11:43:16,010 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/lio/struc.xyz' 2026-02-10T11:43:16,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mg/struc.xyz' 2026-02-10T11:43:16,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgo/struc.xyz' 2026-02-10T11:43:16,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/mgs/struc.xyz' 2026-02-10T11:43:16,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/na/struc.xyz' 2026-02-10T11:43:16,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/nao/struc.xyz' 2026-02-10T11:43:16,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/o/struc.xyz' 2026-02-10T11:43:16,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ALKBDE10/s/struc.xyz' 2026-02-10T11:43:16,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xab/struc.xyz' 2026-02-10T11:43:16,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xac/struc.xyz' 2026-02-10T11:43:16,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xag/struc.xyz' 2026-02-10T11:43:16,029 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xai/struc.xyz' 2026-02-10T11:43:16,031 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ALA_xak/struc.xyz' 2026-02-10T11:43:16,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xak/struc.xyz' 2026-02-10T11:43:16,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbv/struc.xyz' 2026-02-10T11:43:16,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xbx/struc.xyz' 2026-02-10T11:43:16,038 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xby/struc.xyz' 2026-02-10T11:43:16,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ARG_xci/struc.xyz' 2026-02-10T11:43:16,041 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xab/struc.xyz' 2026-02-10T11:43:16,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xae/struc.xyz' 2026-02-10T11:43:16,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaf/struc.xyz' 2026-02-10T11:43:16,047 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xah/struc.xyz' 2026-02-10T11:43:16,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASN_xaj/struc.xyz' 2026-02-10T11:43:16,050 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xad/struc.xyz' 2026-02-10T11:43:16,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xau/struc.xyz' 2026-02-10T11:43:16,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xay/struc.xyz' 2026-02-10T11:43:16,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xaz/struc.xyz' 2026-02-10T11:43:16,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ASP_xbc/struc.xyz' 2026-02-10T11:43:16,059 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xag/struc.xyz' 2026-02-10T11:43:16,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xah/struc.xyz' 2026-02-10T11:43:16,062 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xai/struc.xyz' 2026-02-10T11:43:16,064 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xal/struc.xyz' 2026-02-10T11:43:16,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/CYS_xao/struc.xyz' 2026-02-10T11:43:16,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xai/struc.xyz' 2026-02-10T11:43:16,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xal/struc.xyz' 2026-02-10T11:43:16,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xan/struc.xyz' 2026-02-10T11:43:16,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xap/struc.xyz' 2026-02-10T11:43:16,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLN_xat/struc.xyz' 2026-02-10T11:43:16,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xad/struc.xyz' 2026-02-10T11:43:16,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xal/struc.xyz' 2026-02-10T11:43:16,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xar/struc.xyz' 2026-02-10T11:43:16,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xav/struc.xyz' 2026-02-10T11:43:16,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLU_xbi/struc.xyz' 2026-02-10T11:43:16,088 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xab/struc.xyz' 2026-02-10T11:43:16,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xac/struc.xyz' 2026-02-10T11:43:16,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xad/struc.xyz' 2026-02-10T11:43:16,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xae/struc.xyz' 2026-02-10T11:43:16,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/GLY_xag/struc.xyz' 2026-02-10T11:43:16,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xah/struc.xyz' 2026-02-10T11:43:16,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xam/struc.xyz' 2026-02-10T11:43:16,100 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xaq/struc.xyz' 2026-02-10T11:43:16,102 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xau/struc.xyz' 2026-02-10T11:43:16,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/HIS_xav/struc.xyz' 2026-02-10T11:43:16,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xae/struc.xyz' 2026-02-10T11:43:16,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xag/struc.xyz' 2026-02-10T11:43:16,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaj/struc.xyz' 2026-02-10T11:43:16,111 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xak/struc.xyz' 2026-02-10T11:43:16,113 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/ILE_xaq/struc.xyz' 2026-02-10T11:43:16,115 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xad/struc.xyz' 2026-02-10T11:43:16,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xae/struc.xyz' 2026-02-10T11:43:16,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xap/struc.xyz' 2026-02-10T11:43:16,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xaq/struc.xyz' 2026-02-10T11:43:16,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LEU_xbb/struc.xyz' 2026-02-10T11:43:16,124 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xan/struc.xyz' 2026-02-10T11:43:16,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xao/struc.xyz' 2026-02-10T11:43:16,128 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xap/struc.xyz' 2026-02-10T11:43:16,130 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xas/struc.xyz' 2026-02-10T11:43:16,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/LYS_xat/struc.xyz' 2026-02-10T11:43:16,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xag/struc.xyz' 2026-02-10T11:43:16,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xav/struc.xyz' 2026-02-10T11:43:16,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbf/struc.xyz' 2026-02-10T11:43:16,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbm/struc.xyz' 2026-02-10T11:43:16,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/MET_xbo/struc.xyz' 2026-02-10T11:43:16,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xab/struc.xyz' 2026-02-10T11:43:16,145 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xal/struc.xyz' 2026-02-10T11:43:16,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xan/struc.xyz' 2026-02-10T11:43:16,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xar/struc.xyz' 2026-02-10T11:43:16,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PHE_xaw/struc.xyz' 2026-02-10T11:43:16,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xab/struc.xyz' 2026-02-10T11:43:16,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xac/struc.xyz' 2026-02-10T11:43:16,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xad/struc.xyz' 2026-02-10T11:43:16,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xae/struc.xyz' 2026-02-10T11:43:16,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/PRO_xaf/struc.xyz' 2026-02-10T11:43:16,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xad/struc.xyz' 2026-02-10T11:43:16,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xaf/struc.xyz' 2026-02-10T11:43:16,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xah/struc.xyz' 2026-02-10T11:43:16,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xak/struc.xyz' 2026-02-10T11:43:16,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/SER_xar/struc.xyz' 2026-02-10T11:43:16,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xab/struc.xyz' 2026-02-10T11:43:16,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xag/struc.xyz' 2026-02-10T11:43:16,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xah/struc.xyz' 2026-02-10T11:43:16,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xal/struc.xyz' 2026-02-10T11:43:16,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/THR_xaq/struc.xyz' 2026-02-10T11:43:16,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xac/struc.xyz' 2026-02-10T11:43:16,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xaf/struc.xyz' 2026-02-10T11:43:16,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xag/struc.xyz' 2026-02-10T11:43:16,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xah/struc.xyz' 2026-02-10T11:43:16,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TRP_xao/struc.xyz' 2026-02-10T11:43:16,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xab/struc.xyz' 2026-02-10T11:43:16,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xag/struc.xyz' 2026-02-10T11:43:16,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xah/struc.xyz' 2026-02-10T11:43:16,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xan/struc.xyz' 2026-02-10T11:43:16,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/TYR_xar/struc.xyz' 2026-02-10T11:43:16,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xad/struc.xyz' 2026-02-10T11:43:16,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaf/struc.xyz' 2026-02-10T11:43:16,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xah/struc.xyz' 2026-02-10T11:43:16,204 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xaj/struc.xyz' 2026-02-10T11:43:16,206 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/Amino20x4/VAL_xak/struc.xyz' 2026-02-10T11:43:16,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H5/struc.xyz' 2026-02-10T11:43:16,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C2H6/struc.xyz' 2026-02-10T11:43:16,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/C5H8/struc.xyz' 2026-02-10T11:43:16,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH2OH/struc.xyz' 2026-02-10T11:43:16,215 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/CH4/struc.xyz' 2026-02-10T11:43:16,217 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2/struc.xyz' 2026-02-10T11:43:16,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2O/struc.xyz' 2026-02-10T11:43:16,220 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/H2S/struc.xyz' 2026-02-10T11:43:16,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/HS/struc.xyz' 2026-02-10T11:43:16,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H/struc.xyz' 2026-02-10T11:43:16,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/N2H2/struc.xyz' 2026-02-10T11:43:16,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH/struc.xyz' 2026-02-10T11:43:16,228 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH2/struc.xyz' 2026-02-10T11:43:16,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/NH3/struc.xyz' 2026-02-10T11:43:16,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/O/struc.xyz' 2026-02-10T11:43:16,233 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH2/struc.xyz' 2026-02-10T11:43:16,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/PH3/struc.xyz' 2026-02-10T11:43:16,236 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT01/struc.xyz' 2026-02-10T11:43:16,238 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT02/struc.xyz' 2026-02-10T11:43:16,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT03/struc.xyz' 2026-02-10T11:43:16,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT04/struc.xyz' 2026-02-10T11:43:16,243 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT05/struc.xyz' 2026-02-10T11:43:16,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT06/struc.xyz' 2026-02-10T11:43:16,246 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT07/struc.xyz' 2026-02-10T11:43:16,248 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT08/struc.xyz' 2026-02-10T11:43:16,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT09/struc.xyz' 2026-02-10T11:43:16,251 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT10/struc.xyz' 2026-02-10T11:43:16,254 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT11/struc.xyz' 2026-02-10T11:43:16,256 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT12/struc.xyz' 2026-02-10T11:43:16,258 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT13/struc.xyz' 2026-02-10T11:43:16,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT14/struc.xyz' 2026-02-10T11:43:16,261 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT15/struc.xyz' 2026-02-10T11:43:16,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT16/struc.xyz' 2026-02-10T11:43:16,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT17/struc.xyz' 2026-02-10T11:43:16,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT18/struc.xyz' 2026-02-10T11:43:16,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT19/struc.xyz' 2026-02-10T11:43:16,269 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT20/struc.xyz' 2026-02-10T11:43:16,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT21/struc.xyz' 2026-02-10T11:43:16,272 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/RKT22/struc.xyz' 2026-02-10T11:43:16,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h4/struc.xyz' 2026-02-10T11:43:16,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5/struc.xyz' 2026-02-10T11:43:16,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c2h5ts/struc.xyz' 2026-02-10T11:43:16,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7/struc.xyz' 2026-02-10T11:43:16,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/c3h7ts/struc.xyz' 2026-02-10T11:43:16,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3/struc.xyz' 2026-02-10T11:43:16,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3cl/struc.xyz' 2026-02-10T11:43:16,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3f/struc.xyz' 2026-02-10T11:43:16,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3fclts/struc.xyz' 2026-02-10T11:43:16,289 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/ch3oh/struc.xyz' 2026-02-10T11:43:16,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl/struc.xyz' 2026-02-10T11:43:16,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/cl-/struc.xyz' 2026-02-10T11:43:16,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clcomp/struc.xyz' 2026-02-10T11:43:16,295 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clch3clts/struc.xyz' 2026-02-10T11:43:16,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/clf/struc.xyz' 2026-02-10T11:43:16,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/co/struc.xyz' 2026-02-10T11:43:16,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f/struc.xyz' 2026-02-10T11:43:16,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f-/struc.xyz' 2026-02-10T11:43:16,305 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/f2/struc.xyz' 2026-02-10T11:43:16,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp1/struc.xyz' 2026-02-10T11:43:16,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clcomp2/struc.xyz' 2026-02-10T11:43:16,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3clts/struc.xyz' 2026-02-10T11:43:16,311 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fcomp/struc.xyz' 2026-02-10T11:43:16,313 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/fch3fts/struc.xyz' 2026-02-10T11:43:16,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/h/struc.xyz' 2026-02-10T11:43:16,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hch3clts/struc.xyz' 2026-02-10T11:43:16,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcl/struc.xyz' 2026-02-10T11:43:16,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hclhts/struc.xyz' 2026-02-10T11:43:16,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcn/struc.xyz' 2026-02-10T11:43:16,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcnts/struc.xyz' 2026-02-10T11:43:16,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hco/struc.xyz' 2026-02-10T11:43:16,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hcots/struc.xyz' 2026-02-10T11:43:16,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf/struc.xyz' 2026-02-10T11:43:16,330 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hf2ts/struc.xyz' 2026-02-10T11:43:16,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfch3ts/struc.xyz' 2026-02-10T11:43:16,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hfhts/struc.xyz' 2026-02-10T11:43:16,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2/struc.xyz' 2026-02-10T11:43:16,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hn2ts/struc.xyz' 2026-02-10T11:43:16,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hnc/struc.xyz' 2026-02-10T11:43:16,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:16,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:16,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/hoch3fts/struc.xyz' 2026-02-10T11:43:16,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2/struc.xyz' 2026-02-10T11:43:16,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2o/struc.xyz' 2026-02-10T11:43:16,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/n2ohts/struc.xyz' 2026-02-10T11:43:16,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh/struc.xyz' 2026-02-10T11:43:16,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76/oh-/struc.xyz' 2026-02-10T11:43:16,354 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H5/struc.xyz' 2026-02-10T11:43:16,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C2H6/struc.xyz' 2026-02-10T11:43:16,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/C5H8/struc.xyz' 2026-02-10T11:43:16,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH2OH/struc.xyz' 2026-02-10T11:43:16,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/CH4/struc.xyz' 2026-02-10T11:43:16,362 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2/struc.xyz' 2026-02-10T11:43:16,364 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2O/struc.xyz' 2026-02-10T11:43:16,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/H2S/struc.xyz' 2026-02-10T11:43:16,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/HS/struc.xyz' 2026-02-10T11:43:16,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H/struc.xyz' 2026-02-10T11:43:16,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/N2H2/struc.xyz' 2026-02-10T11:43:16,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH/struc.xyz' 2026-02-10T11:43:16,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH2/struc.xyz' 2026-02-10T11:43:16,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/NH3/struc.xyz' 2026-02-10T11:43:16,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/O/struc.xyz' 2026-02-10T11:43:16,379 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH2/struc.xyz' 2026-02-10T11:43:16,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/PH3/struc.xyz' 2026-02-10T11:43:16,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT01/struc.xyz' 2026-02-10T11:43:16,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT02/struc.xyz' 2026-02-10T11:43:16,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT03/struc.xyz' 2026-02-10T11:43:16,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT04/struc.xyz' 2026-02-10T11:43:16,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT05/struc.xyz' 2026-02-10T11:43:16,391 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT06/struc.xyz' 2026-02-10T11:43:16,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT07/struc.xyz' 2026-02-10T11:43:16,394 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT08/struc.xyz' 2026-02-10T11:43:16,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT09/struc.xyz' 2026-02-10T11:43:16,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT10/struc.xyz' 2026-02-10T11:43:16,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT11/struc.xyz' 2026-02-10T11:43:16,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT12/struc.xyz' 2026-02-10T11:43:16,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT13/struc.xyz' 2026-02-10T11:43:16,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT14/struc.xyz' 2026-02-10T11:43:16,407 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT15/struc.xyz' 2026-02-10T11:43:16,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT16/struc.xyz' 2026-02-10T11:43:16,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT17/struc.xyz' 2026-02-10T11:43:16,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT18/struc.xyz' 2026-02-10T11:43:16,413 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT19/struc.xyz' 2026-02-10T11:43:16,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT20/struc.xyz' 2026-02-10T11:43:16,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT21/struc.xyz' 2026-02-10T11:43:16,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/RKT22/struc.xyz' 2026-02-10T11:43:16,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h4/struc.xyz' 2026-02-10T11:43:16,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5/struc.xyz' 2026-02-10T11:43:16,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c2h5ts/struc.xyz' 2026-02-10T11:43:16,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7/struc.xyz' 2026-02-10T11:43:16,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/c3h7ts/struc.xyz' 2026-02-10T11:43:16,427 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3/struc.xyz' 2026-02-10T11:43:16,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3cl/struc.xyz' 2026-02-10T11:43:16,430 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3f/struc.xyz' 2026-02-10T11:43:16,432 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3fclts/struc.xyz' 2026-02-10T11:43:16,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/ch3oh/struc.xyz' 2026-02-10T11:43:16,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl/struc.xyz' 2026-02-10T11:43:16,436 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/cl-/struc.xyz' 2026-02-10T11:43:16,438 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clcomp/struc.xyz' 2026-02-10T11:43:16,440 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clch3clts/struc.xyz' 2026-02-10T11:43:16,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/clf/struc.xyz' 2026-02-10T11:43:16,443 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/co/struc.xyz' 2026-02-10T11:43:16,445 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f/struc.xyz' 2026-02-10T11:43:16,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f-/struc.xyz' 2026-02-10T11:43:16,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/f2/struc.xyz' 2026-02-10T11:43:16,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp1/struc.xyz' 2026-02-10T11:43:16,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clcomp2/struc.xyz' 2026-02-10T11:43:16,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3clts/struc.xyz' 2026-02-10T11:43:16,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fcomp/struc.xyz' 2026-02-10T11:43:16,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/fch3fts/struc.xyz' 2026-02-10T11:43:16,460 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/h/struc.xyz' 2026-02-10T11:43:16,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hch3clts/struc.xyz' 2026-02-10T11:43:16,463 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcl/struc.xyz' 2026-02-10T11:43:16,465 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hclhts/struc.xyz' 2026-02-10T11:43:16,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcn/struc.xyz' 2026-02-10T11:43:16,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcnts/struc.xyz' 2026-02-10T11:43:16,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hco/struc.xyz' 2026-02-10T11:43:16,473 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hcots/struc.xyz' 2026-02-10T11:43:16,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf/struc.xyz' 2026-02-10T11:43:16,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hf2ts/struc.xyz' 2026-02-10T11:43:16,478 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfch3ts/struc.xyz' 2026-02-10T11:43:16,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hfhts/struc.xyz' 2026-02-10T11:43:16,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2/struc.xyz' 2026-02-10T11:43:16,483 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hn2ts/struc.xyz' 2026-02-10T11:43:16,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hnc/struc.xyz' 2026-02-10T11:43:16,486 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp1/struc.xyz' 2026-02-10T11:43:16,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fcomp2/struc.xyz' 2026-02-10T11:43:16,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/hoch3fts/struc.xyz' 2026-02-10T11:43:16,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2/struc.xyz' 2026-02-10T11:43:16,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2o/struc.xyz' 2026-02-10T11:43:16,494 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/n2ohts/struc.xyz' 2026-02-10T11:43:16,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh/struc.xyz' 2026-02-10T11:43:16,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BH76RC/oh-/struc.xyz' 2026-02-10T11:43:16,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed1/struc.xyz' 2026-02-10T11:43:16,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed10/struc.xyz' 2026-02-10T11:43:16,504 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed2/struc.xyz' 2026-02-10T11:43:16,506 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed3/struc.xyz' 2026-02-10T11:43:16,508 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed4/struc.xyz' 2026-02-10T11:43:16,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed5/struc.xyz' 2026-02-10T11:43:16,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed6/struc.xyz' 2026-02-10T11:43:16,513 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed7/struc.xyz' 2026-02-10T11:43:16,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed8/struc.xyz' 2026-02-10T11:43:16,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ed9/struc.xyz' 2026-02-10T11:43:16,518 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts1/struc.xyz' 2026-02-10T11:43:16,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts10/struc.xyz' 2026-02-10T11:43:16,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts2/struc.xyz' 2026-02-10T11:43:16,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts3/struc.xyz' 2026-02-10T11:43:16,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts4/struc.xyz' 2026-02-10T11:43:16,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts5/struc.xyz' 2026-02-10T11:43:16,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts6/struc.xyz' 2026-02-10T11:43:16,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts7/struc.xyz' 2026-02-10T11:43:16,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts8/struc.xyz' 2026-02-10T11:43:16,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHDIV10/ts9/struc.xyz' 2026-02-10T11:43:16,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/00r/struc.xyz' 2026-02-10T11:43:16,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01r/struc.xyz' 2026-02-10T11:43:16,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/01ts/struc.xyz' 2026-02-10T11:43:16,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02r/struc.xyz' 2026-02-10T11:43:16,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/02ts/struc.xyz' 2026-02-10T11:43:16,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03r/struc.xyz' 2026-02-10T11:43:16,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/03ts/struc.xyz' 2026-02-10T11:43:16,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04r/struc.xyz' 2026-02-10T11:43:16,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/04ts/struc.xyz' 2026-02-10T11:43:16,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05r/struc.xyz' 2026-02-10T11:43:16,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/05ts/struc.xyz' 2026-02-10T11:43:16,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/06ts/struc.xyz' 2026-02-10T11:43:16,560 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07r/struc.xyz' 2026-02-10T11:43:16,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/07ts/struc.xyz' 2026-02-10T11:43:16,564 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/08ts/struc.xyz' 2026-02-10T11:43:16,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09r/struc.xyz' 2026-02-10T11:43:16,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/09ts/struc.xyz' 2026-02-10T11:43:16,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Butadiene/struc.xyz' 2026-02-10T11:43:16,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclohexadiene/struc.xyz' 2026-02-10T11:43:16,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Cyclopentadiene/struc.xyz' 2026-02-10T11:43:16,574 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,3-Pentadiene/struc.xyz' 2026-02-10T11:43:16,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/1,5-Hexadiene/struc.xyz' 2026-02-10T11:43:16,577 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13_c2h4/struc.xyz' 2026-02-10T11:43:16,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_1/struc.xyz' 2026-02-10T11:43:16,580 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_2/struc.xyz' 2026-02-10T11:43:16,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_3/struc.xyz' 2026-02-10T11:43:16,583 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_4/struc.xyz' 2026-02-10T11:43:16,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_5/struc.xyz' 2026-02-10T11:43:16,586 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_6/struc.xyz' 2026-02-10T11:43:16,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_7/struc.xyz' 2026-02-10T11:43:16,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_8/struc.xyz' 2026-02-10T11:43:16,591 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13r_9/struc.xyz' 2026-02-10T11:43:16,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_1a/struc.xyz' 2026-02-10T11:43:16,594 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_2a/struc.xyz' 2026-02-10T11:43:16,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_3a/struc.xyz' 2026-02-10T11:43:16,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_4a/struc.xyz' 2026-02-10T11:43:16,599 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_5a/struc.xyz' 2026-02-10T11:43:16,601 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_6a/struc.xyz' 2026-02-10T11:43:16,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_7a/struc.xyz' 2026-02-10T11:43:16,604 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_8a/struc.xyz' 2026-02-10T11:43:16,606 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/13ts_9a/struc.xyz' 2026-02-10T11:43:16,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Benzocyclobutane/struc.xyz' 2026-02-10T11:43:16,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cis-triscyclopropacyclohexane/struc.xyz' 2026-02-10T11:43:16,611 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclobutene/struc.xyz' 2026-02-10T11:43:16,613 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclohexene/struc.xyz' 2026-02-10T11:43:16,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Cyclonona-1,4,7-triene/struc.xyz' 2026-02-10T11:43:16,616 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Ethylene/struc.xyz' 2026-02-10T11:43:16,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/Norbornene/struc.xyz' 2026-02-10T11:43:16,620 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS1/struc.xyz' 2026-02-10T11:43:16,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS10/struc.xyz' 2026-02-10T11:43:16,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS11/struc.xyz' 2026-02-10T11:43:16,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS2/struc.xyz' 2026-02-10T11:43:16,627 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS3/struc.xyz' 2026-02-10T11:43:16,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS4/struc.xyz' 2026-02-10T11:43:16,631 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS5/struc.xyz' 2026-02-10T11:43:16,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS6/struc.xyz' 2026-02-10T11:43:16,634 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS7/struc.xyz' 2026-02-10T11:43:16,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS8/struc.xyz' 2026-02-10T11:43:16,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/TS9/struc.xyz' 2026-02-10T11:43:16,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/cis-1,3,5-Hexatriene/struc.xyz' 2026-02-10T11:43:16,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHPERI/ortho-xylylene/struc.xyz' 2026-02-10T11:43:16,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_RC/struc.xyz' 2026-02-10T11:43:16,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS1/struc.xyz' 2026-02-10T11:43:16,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/acetamide_TS2/struc.xyz' 2026-02-10T11:43:16,649 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_TS/struc.xyz' 2026-02-10T11:43:16,651 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_anti/struc.xyz' 2026-02-10T11:43:16,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bifuran_syn/struc.xyz' 2026-02-10T11:43:16,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl/struc.xyz' 2026-02-10T11:43:16,655 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/biphenyl_TS/struc.xyz' 2026-02-10T11:43:16,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_TS/struc.xyz' 2026-02-10T11:43:16,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_anti/struc.xyz' 2026-02-10T11:43:16,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/bithiophene_syn/struc.xyz' 2026-02-10T11:43:16,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_TS/struc.xyz' 2026-02-10T11:43:16,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_scis/struc.xyz' 2026-02-10T11:43:16,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/butadiene_strans/struc.xyz' 2026-02-10T11:43:16,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_ecl/struc.xyz' 2026-02-10T11:43:16,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethane_st/struc.xyz' 2026-02-10T11:43:16,671 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_0/struc.xyz' 2026-02-10T11:43:16,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_180/struc.xyz' 2026-02-10T11:43:16,674 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS1/struc.xyz' 2026-02-10T11:43:16,676 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/ethylthiourea_TS2/struc.xyz' 2026-02-10T11:43:16,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2/struc.xyz' 2026-02-10T11:43:16,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_cis/struc.xyz' 2026-02-10T11:43:16,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2o2_trans/struc.xyz' 2026-02-10T11:43:16,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2/struc.xyz' 2026-02-10T11:43:16,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_cis/struc.xyz' 2026-02-10T11:43:16,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/h2s2_trans/struc.xyz' 2026-02-10T11:43:16,687 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_ecl/struc.xyz' 2026-02-10T11:43:16,689 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methanol_st/struc.xyz' 2026-02-10T11:43:16,691 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_ecl/struc.xyz' 2026-02-10T11:43:16,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/methylamine_st/struc.xyz' 2026-02-10T11:43:16,695 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl1/struc.xyz' 2026-02-10T11:43:16,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_ecl2/struc.xyz' 2026-02-10T11:43:16,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/n2h4_st1/struc.xyz' 2026-02-10T11:43:16,700 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:16,702 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st1/struc.xyz' 2026-02-10T11:43:16,704 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/nh2oh_st2/struc.xyz' 2026-02-10T11:43:16,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_0/struc.xyz' 2026-02-10T11:43:16,707 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_120/struc.xyz' 2026-02-10T11:43:16,709 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_180/struc.xyz' 2026-02-10T11:43:16,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BHROT27/tmethane_60/struc.xyz' 2026-02-10T11:43:16,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c1/struc.xyz' 2026-02-10T11:43:16,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2/struc.xyz' 2026-02-10T11:43:16,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c2h6/struc.xyz' 2026-02-10T11:43:16,719 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c3/struc.xyz' 2026-02-10T11:43:16,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c4/struc.xyz' 2026-02-10T11:43:16,722 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/c5/struc.xyz' 2026-02-10T11:43:16,724 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/ch4/struc.xyz' 2026-02-10T11:43:16,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h1/struc.xyz' 2026-02-10T11:43:16,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h10/struc.xyz' 2026-02-10T11:43:16,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h11/struc.xyz' 2026-02-10T11:43:16,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h12/struc.xyz' 2026-02-10T11:43:16,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h13/struc.xyz' 2026-02-10T11:43:16,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h14/struc.xyz' 2026-02-10T11:43:16,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h15/struc.xyz' 2026-02-10T11:43:16,738 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h2/struc.xyz' 2026-02-10T11:43:16,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h3/struc.xyz' 2026-02-10T11:43:16,741 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h4/struc.xyz' 2026-02-10T11:43:16,743 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h5/struc.xyz' 2026-02-10T11:43:16,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h6/struc.xyz' 2026-02-10T11:43:16,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h7/struc.xyz' 2026-02-10T11:43:16,748 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h8/struc.xyz' 2026-02-10T11:43:16,750 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/h9/struc.xyz' 2026-02-10T11:43:16,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r1/struc.xyz' 2026-02-10T11:43:16,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r10/struc.xyz' 2026-02-10T11:43:16,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r11/struc.xyz' 2026-02-10T11:43:16,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r12/struc.xyz' 2026-02-10T11:43:16,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r13/struc.xyz' 2026-02-10T11:43:16,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r14/struc.xyz' 2026-02-10T11:43:16,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r15/struc.xyz' 2026-02-10T11:43:16,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r16/struc.xyz' 2026-02-10T11:43:16,766 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r2/struc.xyz' 2026-02-10T11:43:16,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r3/struc.xyz' 2026-02-10T11:43:16,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r4/struc.xyz' 2026-02-10T11:43:16,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r5/struc.xyz' 2026-02-10T11:43:16,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r6/struc.xyz' 2026-02-10T11:43:16,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r7/struc.xyz' 2026-02-10T11:43:16,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r8/struc.xyz' 2026-02-10T11:43:16,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BSR36/r9/struc.xyz' 2026-02-10T11:43:16,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B1/struc.xyz' 2026-02-10T11:43:16,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B10/struc.xyz' 2026-02-10T11:43:16,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B11/struc.xyz' 2026-02-10T11:43:16,786 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B12/struc.xyz' 2026-02-10T11:43:16,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B13/struc.xyz' 2026-02-10T11:43:16,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B14/struc.xyz' 2026-02-10T11:43:16,791 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B15/struc.xyz' 2026-02-10T11:43:16,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B16/struc.xyz' 2026-02-10T11:43:16,795 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B17/struc.xyz' 2026-02-10T11:43:16,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B18/struc.xyz' 2026-02-10T11:43:16,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B19/struc.xyz' 2026-02-10T11:43:16,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B2/struc.xyz' 2026-02-10T11:43:16,802 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B20/struc.xyz' 2026-02-10T11:43:16,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B21/struc.xyz' 2026-02-10T11:43:16,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B22/struc.xyz' 2026-02-10T11:43:16,806 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B23/struc.xyz' 2026-02-10T11:43:16,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B24/struc.xyz' 2026-02-10T11:43:16,809 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B25/struc.xyz' 2026-02-10T11:43:16,811 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B26/struc.xyz' 2026-02-10T11:43:16,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B27/struc.xyz' 2026-02-10T11:43:16,814 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B28/struc.xyz' 2026-02-10T11:43:16,816 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B29/struc.xyz' 2026-02-10T11:43:16,818 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B3/struc.xyz' 2026-02-10T11:43:16,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B30/struc.xyz' 2026-02-10T11:43:16,821 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B31/struc.xyz' 2026-02-10T11:43:16,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B32/struc.xyz' 2026-02-10T11:43:16,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B33/struc.xyz' 2026-02-10T11:43:16,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B34/struc.xyz' 2026-02-10T11:43:16,828 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B35/struc.xyz' 2026-02-10T11:43:16,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B36/struc.xyz' 2026-02-10T11:43:16,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B37/struc.xyz' 2026-02-10T11:43:16,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B38/struc.xyz' 2026-02-10T11:43:16,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B39/struc.xyz' 2026-02-10T11:43:16,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B4/struc.xyz' 2026-02-10T11:43:16,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B40/struc.xyz' 2026-02-10T11:43:16,840 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B41/struc.xyz' 2026-02-10T11:43:16,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B42/struc.xyz' 2026-02-10T11:43:16,843 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B43/struc.xyz' 2026-02-10T11:43:16,845 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B44/struc.xyz' 2026-02-10T11:43:16,847 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B45/struc.xyz' 2026-02-10T11:43:16,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B46/struc.xyz' 2026-02-10T11:43:16,850 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B47/struc.xyz' 2026-02-10T11:43:16,852 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B48/struc.xyz' 2026-02-10T11:43:16,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B49/struc.xyz' 2026-02-10T11:43:16,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B5/struc.xyz' 2026-02-10T11:43:16,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B50/struc.xyz' 2026-02-10T11:43:16,859 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B51/struc.xyz' 2026-02-10T11:43:16,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B52/struc.xyz' 2026-02-10T11:43:16,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B53/struc.xyz' 2026-02-10T11:43:16,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B54/struc.xyz' 2026-02-10T11:43:16,866 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B55/struc.xyz' 2026-02-10T11:43:16,868 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B56/struc.xyz' 2026-02-10T11:43:16,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B57/struc.xyz' 2026-02-10T11:43:16,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B58/struc.xyz' 2026-02-10T11:43:16,873 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B59/struc.xyz' 2026-02-10T11:43:16,875 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B6/struc.xyz' 2026-02-10T11:43:16,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B60/struc.xyz' 2026-02-10T11:43:16,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B61/struc.xyz' 2026-02-10T11:43:16,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B62/struc.xyz' 2026-02-10T11:43:16,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B63/struc.xyz' 2026-02-10T11:43:16,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B64/struc.xyz' 2026-02-10T11:43:16,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B65/struc.xyz' 2026-02-10T11:43:16,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B7/struc.xyz' 2026-02-10T11:43:16,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B8/struc.xyz' 2026-02-10T11:43:16,890 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/BUT14DIOL/B9/struc.xyz' 2026-02-10T11:43:16,893 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/1/struc.xyz' 2026-02-10T11:43:16,895 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/10/struc.xyz' 2026-02-10T11:43:16,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/2/struc.xyz' 2026-02-10T11:43:16,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/3/struc.xyz' 2026-02-10T11:43:16,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/4/struc.xyz' 2026-02-10T11:43:16,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/5/struc.xyz' 2026-02-10T11:43:16,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/6/struc.xyz' 2026-02-10T11:43:16,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/7/struc.xyz' 2026-02-10T11:43:16,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/8/struc.xyz' 2026-02-10T11:43:16,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/C60ISO/9/struc.xyz' 2026-02-10T11:43:16,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL/struc.xyz' 2026-02-10T11:43:16,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_A/struc.xyz' 2026-02-10T11:43:16,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1CL_B/struc.xyz' 2026-02-10T11:43:16,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N/struc.xyz' 2026-02-10T11:43:16,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_A/struc.xyz' 2026-02-10T11:43:16,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1N_B/struc.xyz' 2026-02-10T11:43:16,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O/struc.xyz' 2026-02-10T11:43:16,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_A/struc.xyz' 2026-02-10T11:43:16,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/1O_B/struc.xyz' 2026-02-10T11:43:16,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL/struc.xyz' 2026-02-10T11:43:16,930 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_A/struc.xyz' 2026-02-10T11:43:16,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2CL_B/struc.xyz' 2026-02-10T11:43:16,933 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N/struc.xyz' 2026-02-10T11:43:16,935 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_A/struc.xyz' 2026-02-10T11:43:16,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2N_B/struc.xyz' 2026-02-10T11:43:16,938 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O/struc.xyz' 2026-02-10T11:43:16,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_A/struc.xyz' 2026-02-10T11:43:16,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/2O_B/struc.xyz' 2026-02-10T11:43:16,943 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL/struc.xyz' 2026-02-10T11:43:16,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_A/struc.xyz' 2026-02-10T11:43:16,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3CL_B/struc.xyz' 2026-02-10T11:43:16,949 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N/struc.xyz' 2026-02-10T11:43:16,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_A/struc.xyz' 2026-02-10T11:43:16,952 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3N_B/struc.xyz' 2026-02-10T11:43:16,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O/struc.xyz' 2026-02-10T11:43:16,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_A/struc.xyz' 2026-02-10T11:43:16,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/3O_B/struc.xyz' 2026-02-10T11:43:16,960 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL/struc.xyz' 2026-02-10T11:43:16,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_A/struc.xyz' 2026-02-10T11:43:16,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4CL_B/struc.xyz' 2026-02-10T11:43:16,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N/struc.xyz' 2026-02-10T11:43:16,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_A/struc.xyz' 2026-02-10T11:43:16,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4N_B/struc.xyz' 2026-02-10T11:43:16,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O/struc.xyz' 2026-02-10T11:43:16,971 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_A/struc.xyz' 2026-02-10T11:43:16,973 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CARBHB12/4O_B/struc.xyz' 2026-02-10T11:43:16,975 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P20/struc.xyz' 2026-02-10T11:43:16,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P22/struc.xyz' 2026-02-10T11:43:16,978 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P25/struc.xyz' 2026-02-10T11:43:16,980 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P26/struc.xyz' 2026-02-10T11:43:16,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P40/struc.xyz' 2026-02-10T11:43:16,984 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P43/struc.xyz' 2026-02-10T11:43:16,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P44/struc.xyz' 2026-02-10T11:43:16,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P45/struc.xyz' 2026-02-10T11:43:16,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P46/struc.xyz' 2026-02-10T11:43:16,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P47/struc.xyz' 2026-02-10T11:43:16,993 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P48/struc.xyz' 2026-02-10T11:43:16,994 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P49/struc.xyz' 2026-02-10T11:43:16,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P51/struc.xyz' 2026-02-10T11:43:16,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P52/struc.xyz' 2026-02-10T11:43:16,999 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P56/struc.xyz' 2026-02-10T11:43:17,001 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/P60/struc.xyz' 2026-02-10T11:43:17,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R20/struc.xyz' 2026-02-10T11:43:17,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R21/struc.xyz' 2026-02-10T11:43:17,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R22/struc.xyz' 2026-02-10T11:43:17,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R25/struc.xyz' 2026-02-10T11:43:17,010 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R26/struc.xyz' 2026-02-10T11:43:17,012 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R28/struc.xyz' 2026-02-10T11:43:17,014 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R29/struc.xyz' 2026-02-10T11:43:17,016 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R40/struc.xyz' 2026-02-10T11:43:17,018 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R43/struc.xyz' 2026-02-10T11:43:17,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R44/struc.xyz' 2026-02-10T11:43:17,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R45/struc.xyz' 2026-02-10T11:43:17,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R46/struc.xyz' 2026-02-10T11:43:17,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R47/struc.xyz' 2026-02-10T11:43:17,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R48/struc.xyz' 2026-02-10T11:43:17,029 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R49/struc.xyz' 2026-02-10T11:43:17,031 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R51/struc.xyz' 2026-02-10T11:43:17,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R52/struc.xyz' 2026-02-10T11:43:17,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R56/struc.xyz' 2026-02-10T11:43:17,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R57/struc.xyz' 2026-02-10T11:43:17,038 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CDIE20/R60/struc.xyz' 2026-02-10T11:43:17,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22/struc.xyz' 2026-02-10T11:43:17,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22A/struc.xyz' 2026-02-10T11:43:17,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/22B/struc.xyz' 2026-02-10T11:43:17,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23/struc.xyz' 2026-02-10T11:43:17,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23A/struc.xyz' 2026-02-10T11:43:17,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/23B/struc.xyz' 2026-02-10T11:43:17,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24/struc.xyz' 2026-02-10T11:43:17,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24A/struc.xyz' 2026-02-10T11:43:17,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/24B/struc.xyz' 2026-02-10T11:43:17,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25/struc.xyz' 2026-02-10T11:43:17,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25A/struc.xyz' 2026-02-10T11:43:17,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/25B/struc.xyz' 2026-02-10T11:43:17,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26/struc.xyz' 2026-02-10T11:43:17,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26A/struc.xyz' 2026-02-10T11:43:17,062 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/26B/struc.xyz' 2026-02-10T11:43:17,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27/struc.xyz' 2026-02-10T11:43:17,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27A/struc.xyz' 2026-02-10T11:43:17,067 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/CHB6/27B/struc.xyz' 2026-02-10T11:43:17,069 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P1/struc.xyz' 2026-02-10T11:43:17,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10/struc.xyz' 2026-02-10T11:43:17,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P10X/struc.xyz' 2026-02-10T11:43:17,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P2/struc.xyz' 2026-02-10T11:43:17,075 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P3/struc.xyz' 2026-02-10T11:43:17,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P4/struc.xyz' 2026-02-10T11:43:17,079 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P5/struc.xyz' 2026-02-10T11:43:17,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P6/struc.xyz' 2026-02-10T11:43:17,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7/struc.xyz' 2026-02-10T11:43:17,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P7X/struc.xyz' 2026-02-10T11:43:17,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8/struc.xyz' 2026-02-10T11:43:17,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P8X/struc.xyz' 2026-02-10T11:43:17,088 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9/struc.xyz' 2026-02-10T11:43:17,090 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/P9X/struc.xyz' 2026-02-10T11:43:17,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/butadiene/struc.xyz' 2026-02-10T11:43:17,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/chdiene/struc.xyz' 2026-02-10T11:43:17,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/cpdiene/struc.xyz' 2026-02-10T11:43:17,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethene/struc.xyz' 2026-02-10T11:43:17,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/ethine/struc.xyz' 2026-02-10T11:43:17,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/furane/struc.xyz' 2026-02-10T11:43:17,101 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/malein/struc.xyz' 2026-02-10T11:43:17,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DARC/maleinNH/struc.xyz' 2026-02-10T11:43:17,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/13dip/struc.xyz' 2026-02-10T11:43:17,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6Cl6/struc.xyz' 2026-02-10T11:43:17,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/C6H6/struc.xyz' 2026-02-10T11:43:17,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/CL2/struc.xyz' 2026-02-10T11:43:17,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/HCL/struc.xyz' 2026-02-10T11:43:17,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_1/struc.xyz' 2026-02-10T11:43:17,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_C8H8_41/struc.xyz' 2026-02-10T11:43:17,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E35/struc.xyz' 2026-02-10T11:43:17,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_E36/struc.xyz' 2026-02-10T11:43:17,121 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P35/struc.xyz' 2026-02-10T11:43:17,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ISO_P36/struc.xyz' 2026-02-10T11:43:17,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be/struc.xyz' 2026-02-10T11:43:17,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/be4/struc.xyz' 2026-02-10T11:43:17,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20bowl/struc.xyz' 2026-02-10T11:43:17,130 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c20cage/struc.xyz' 2026-02-10T11:43:17,132 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h2/struc.xyz' 2026-02-10T11:43:17,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/c2h4/struc.xyz' 2026-02-10T11:43:17,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo1/struc.xyz' 2026-02-10T11:43:17,136 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/carbooxo2/struc.xyz' 2026-02-10T11:43:17,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ch2n2/struc.xyz' 2026-02-10T11:43:17,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/ethen/struc.xyz' 2026-02-10T11:43:17,142 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptahexaene/struc.xyz' 2026-02-10T11:43:17,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/heptatriyne/struc.xyz' 2026-02-10T11:43:17,145 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3/struc.xyz' 2026-02-10T11:43:17,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h2_add/struc.xyz' 2026-02-10T11:43:17,148 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/o3_c2h4_add/struc.xyz' 2026-02-10T11:43:17,150 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/omcb/struc.xyz' 2026-02-10T11:43:17,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s2/struc.xyz' 2026-02-10T11:43:17,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/s8/struc.xyz' 2026-02-10T11:43:17,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DC13/tmethen/struc.xyz' 2026-02-10T11:43:17,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be/struc.xyz' 2026-02-10T11:43:17,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/be_2+/struc.xyz' 2026-02-10T11:43:17,161 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4/struc.xyz' 2026-02-10T11:43:17,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h4_2+/struc.xyz' 2026-02-10T11:43:17,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6/struc.xyz' 2026-02-10T11:43:17,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c2h6_2+/struc.xyz' 2026-02-10T11:43:17,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4/struc.xyz' 2026-02-10T11:43:17,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/c4h4_2+/struc.xyz' 2026-02-10T11:43:17,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o/struc.xyz' 2026-02-10T11:43:17,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ch2o_2+/struc.xyz' 2026-02-10T11:43:17,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s/struc.xyz' 2026-02-10T11:43:17,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/h2s_2+/struc.xyz' 2026-02-10T11:43:17,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg/struc.xyz' 2026-02-10T11:43:17,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/mg_2+/struc.xyz' 2026-02-10T11:43:17,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2/struc.xyz' 2026-02-10T11:43:17,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/n2h2_2+/struc.xyz' 2026-02-10T11:43:17,185 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3/struc.xyz' 2026-02-10T11:43:17,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/nh3_2+/struc.xyz' 2026-02-10T11:43:17,188 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3/struc.xyz' 2026-02-10T11:43:17,190 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/DIPCS10/ph3_2+/struc.xyz' 2026-02-10T11:43:17,194 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-hexene/struc.xyz' 2026-02-10T11:43:17,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentene/struc.xyz' 2026-02-10T11:43:17,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/1-pentyne/struc.xyz' 2026-02-10T11:43:17,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/2-pentyne/struc.xyz' 2026-02-10T11:43:17,201 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-hexene/struc.xyz' 2026-02-10T11:43:17,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/3-methylpentane/struc.xyz' 2026-02-10T11:43:17,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H4OH_2/struc.xyz' 2026-02-10T11:43:17,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CCNCHCH3/struc.xyz' 2026-02-10T11:43:17,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CClCHCH3/struc.xyz' 2026-02-10T11:43:17,210 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2CH3/struc.xyz' 2026-02-10T11:43:17,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CO2H/struc.xyz' 2026-02-10T11:43:17,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5CONH2/struc.xyz' 2026-02-10T11:43:17,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C2H5O_2/struc.xyz' 2026-02-10T11:43:17,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CHCO/struc.xyz' 2026-02-10T11:43:17,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CN/struc.xyz' 2026-02-10T11:43:17,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2C2H3/struc.xyz' 2026-02-10T11:43:17,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CO2H/struc.xyz' 2026-02-10T11:43:17,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7CONH2/struc.xyz' 2026-02-10T11:43:17,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NCO/struc.xyz' 2026-02-10T11:43:17,228 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7NH2/struc.xyz' 2026-02-10T11:43:17,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7SH/struc.xyz' 2026-02-10T11:43:17,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C3H7S_2/struc.xyz' 2026-02-10T11:43:17,233 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CHO/struc.xyz' 2026-02-10T11:43:17,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9CO2H/struc.xyz' 2026-02-10T11:43:17,236 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NCO/struc.xyz' 2026-02-10T11:43:17,238 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NH2/struc.xyz' 2026-02-10T11:43:17,240 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NHCONH2/struc.xyz' 2026-02-10T11:43:17,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9NO2/struc.xyz' 2026-02-10T11:43:17,243 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9ONO/struc.xyz' 2026-02-10T11:43:17,245 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO2H/struc.xyz' 2026-02-10T11:43:17,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C4H9SO3H/struc.xyz' 2026-02-10T11:43:17,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/C6H12O/struc.xyz' 2026-02-10T11:43:17,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO/struc.xyz' 2026-02-10T11:43:17,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO2/struc.xyz' 2026-02-10T11:43:17,254 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/COCl2/struc.xyz' 2026-02-10T11:43:17,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/CO_2NHC3H7_2/struc.xyz' 2026-02-10T11:43:17,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Cl2/struc.xyz' 2026-02-10T11:43:17,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2/struc.xyz' 2026-02-10T11:43:17,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2C-C5-CH2/struc.xyz' 2026-02-10T11:43:17,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2CO/struc.xyz' 2026-02-10T11:43:17,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O/struc.xyz' 2026-02-10T11:43:17,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2O2/struc.xyz' 2026-02-10T11:43:17,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/H2S/struc.xyz' 2026-02-10T11:43:17,269 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCN/struc.xyz' 2026-02-10T11:43:17,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCO2C5H11/struc.xyz' 2026-02-10T11:43:17,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCON_C2H5_2/struc.xyz' 2026-02-10T11:43:17,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/HCl/struc.xyz' 2026-02-10T11:43:17,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/Heptene/struc.xyz' 2026-02-10T11:43:17,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/NH3/struc.xyz' 2026-02-10T11:43:17,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/OS_C2H5_2/struc.xyz' 2026-02-10T11:43:17,281 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/S_C2H5_2/struc.xyz' 2026-02-10T11:43:17,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ax-methylcyclohexene/struc.xyz' 2026-02-10T11:43:17,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/butanediol/struc.xyz' 2026-02-10T11:43:17,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/cis-2-pentene/struc.xyz' 2026-02-10T11:43:17,288 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethylamine/struc.xyz' 2026-02-10T11:43:17,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/diethyloxirane/struc.xyz' 2026-02-10T11:43:17,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylbutane/struc.xyz' 2026-02-10T11:43:17,293 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethyloxirane/struc.xyz' 2026-02-10T11:43:17,294 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/dimethylpyrrole/struc.xyz' 2026-02-10T11:43:17,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/eq-methylcyclohexene/struc.xyz' 2026-02-10T11:43:17,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethene/struc.xyz' 2026-02-10T11:43:17,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/ethyl-g-butyrolactone/struc.xyz' 2026-02-10T11:43:17,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/heptatriyne/struc.xyz' 2026-02-10T11:43:17,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexandione/struc.xyz' 2026-02-10T11:43:17,305 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/hexyne/struc.xyz' 2026-02-10T11:43:17,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methanol/struc.xyz' 2026-02-10T11:43:17,309 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methyl-d-valerolactone/struc.xyz' 2026-02-10T11:43:17,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,3-diene/struc.xyz' 2026-02-10T11:43:17,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexa-1,4-diene/struc.xyz' 2026-02-10T11:43:17,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylcyclohexane/struc.xyz' 2026-02-10T11:43:17,316 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylfuran/struc.xyz' 2026-02-10T11:43:17,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylimidazole/struc.xyz' 2026-02-10T11:43:17,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrazole/struc.xyz' 2026-02-10T11:43:17,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyridine/struc.xyz' 2026-02-10T11:43:17,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/methylpyrrole/struc.xyz' 2026-02-10T11:43:17,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-hexane/struc.xyz' 2026-02-10T11:43:17,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/n-nonane/struc.xyz' 2026-02-10T11:43:17,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/neo-hexane/struc.xyz' 2026-02-10T11:43:17,333 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentadiene/struc.xyz' 2026-02-10T11:43:17,335 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanediol/struc.xyz' 2026-02-10T11:43:17,337 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/pentanol/struc.xyz' 2026-02-10T11:43:17,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylfuran/struc.xyz' 2026-02-10T11:43:17,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propyloxirane/struc.xyz' 2026-02-10T11:43:17,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/propylthiophene/struc.xyz' 2026-02-10T11:43:17,345 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/tetramethylpentane/struc.xyz' 2026-02-10T11:43:17,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/toluene/struc.xyz' 2026-02-10T11:43:17,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/FH51/trans-2-pentene/struc.xyz' 2026-02-10T11:43:17,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10/struc.xyz' 2026-02-10T11:43:17,354 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_10n/struc.xyz' 2026-02-10T11:43:17,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11/struc.xyz' 2026-02-10T11:43:17,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_11n/struc.xyz' 2026-02-10T11:43:17,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12/struc.xyz' 2026-02-10T11:43:17,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_12n/struc.xyz' 2026-02-10T11:43:17,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13/struc.xyz' 2026-02-10T11:43:17,364 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_13n/struc.xyz' 2026-02-10T11:43:17,366 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14/struc.xyz' 2026-02-10T11:43:17,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_14n/struc.xyz' 2026-02-10T11:43:17,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15/struc.xyz' 2026-02-10T11:43:17,370 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_15n/struc.xyz' 2026-02-10T11:43:17,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16/struc.xyz' 2026-02-10T11:43:17,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_16n/struc.xyz' 2026-02-10T11:43:17,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17/struc.xyz' 2026-02-10T11:43:17,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_17n/struc.xyz' 2026-02-10T11:43:17,379 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18/struc.xyz' 2026-02-10T11:43:17,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_18n/struc.xyz' 2026-02-10T11:43:17,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19/struc.xyz' 2026-02-10T11:43:17,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_19n/struc.xyz' 2026-02-10T11:43:17,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20/struc.xyz' 2026-02-10T11:43:17,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_20n/struc.xyz' 2026-02-10T11:43:17,388 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21/struc.xyz' 2026-02-10T11:43:17,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_21n/struc.xyz' 2026-02-10T11:43:17,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22/struc.xyz' 2026-02-10T11:43:17,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_22n/struc.xyz' 2026-02-10T11:43:17,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23/struc.xyz' 2026-02-10T11:43:17,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_23n/struc.xyz' 2026-02-10T11:43:17,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24/struc.xyz' 2026-02-10T11:43:17,400 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_24n/struc.xyz' 2026-02-10T11:43:17,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25/struc.xyz' 2026-02-10T11:43:17,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_25n/struc.xyz' 2026-02-10T11:43:17,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8/struc.xyz' 2026-02-10T11:43:17,407 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_8n/struc.xyz' 2026-02-10T11:43:17,409 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9/struc.xyz' 2026-02-10T11:43:17,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_9n/struc.xyz' 2026-02-10T11:43:17,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c/struc.xyz' 2026-02-10T11:43:17,414 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_c-/struc.xyz' 2026-02-10T11:43:17,415 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl/struc.xyz' 2026-02-10T11:43:17,417 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_cl-/struc.xyz' 2026-02-10T11:43:17,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f/struc.xyz' 2026-02-10T11:43:17,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_f-/struc.xyz' 2026-02-10T11:43:17,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o/struc.xyz' 2026-02-10T11:43:17,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_o-/struc.xyz' 2026-02-10T11:43:17,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p/struc.xyz' 2026-02-10T11:43:17,427 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_p-/struc.xyz' 2026-02-10T11:43:17,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s/struc.xyz' 2026-02-10T11:43:17,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_s-/struc.xyz' 2026-02-10T11:43:17,432 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si/struc.xyz' 2026-02-10T11:43:17,434 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21EA/EA_si-/struc.xyz' 2026-02-10T11:43:17,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/11/struc.xyz' 2026-02-10T11:43:17,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/12/struc.xyz' 2026-02-10T11:43:17,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/13/struc.xyz' 2026-02-10T11:43:17,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/137/struc.xyz' 2026-02-10T11:43:17,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/14/struc.xyz' 2026-02-10T11:43:17,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/18/struc.xyz' 2026-02-10T11:43:17,447 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/19/struc.xyz' 2026-02-10T11:43:17,449 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/20/struc.xyz' 2026-02-10T11:43:17,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/22/struc.xyz' 2026-02-10T11:43:17,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/25/struc.xyz' 2026-02-10T11:43:17,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/26/struc.xyz' 2026-02-10T11:43:17,455 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/30/struc.xyz' 2026-02-10T11:43:17,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/34/struc.xyz' 2026-02-10T11:43:17,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/37/struc.xyz' 2026-02-10T11:43:17,460 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/43/struc.xyz' 2026-02-10T11:43:17,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/44/struc.xyz' 2026-02-10T11:43:17,463 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/45/struc.xyz' 2026-02-10T11:43:17,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/48/struc.xyz' 2026-02-10T11:43:17,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/51/struc.xyz' 2026-02-10T11:43:17,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/8/struc.xyz' 2026-02-10T11:43:17,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_59/struc.xyz' 2026-02-10T11:43:17,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_60/struc.xyz' 2026-02-10T11:43:17,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_61/struc.xyz' 2026-02-10T11:43:17,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_62/struc.xyz' 2026-02-10T11:43:17,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_63/struc.xyz' 2026-02-10T11:43:17,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_64/struc.xyz' 2026-02-10T11:43:17,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_65/struc.xyz' 2026-02-10T11:43:17,480 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_66/struc.xyz' 2026-02-10T11:43:17,482 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_67/struc.xyz' 2026-02-10T11:43:17,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_68/struc.xyz' 2026-02-10T11:43:17,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_70/struc.xyz' 2026-02-10T11:43:17,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_71/struc.xyz' 2026-02-10T11:43:17,489 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_72/struc.xyz' 2026-02-10T11:43:17,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_73/struc.xyz' 2026-02-10T11:43:17,492 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_74/struc.xyz' 2026-02-10T11:43:17,494 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_75/struc.xyz' 2026-02-10T11:43:17,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_76/struc.xyz' 2026-02-10T11:43:17,497 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_77/struc.xyz' 2026-02-10T11:43:17,499 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_78/struc.xyz' 2026-02-10T11:43:17,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_79/struc.xyz' 2026-02-10T11:43:17,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_80/struc.xyz' 2026-02-10T11:43:17,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/IP_n65/struc.xyz' 2026-02-10T11:43:17,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al/struc.xyz' 2026-02-10T11:43:17,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/al+/struc.xyz' 2026-02-10T11:43:17,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b/struc.xyz' 2026-02-10T11:43:17,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/b+/struc.xyz' 2026-02-10T11:43:17,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be/struc.xyz' 2026-02-10T11:43:17,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/be+/struc.xyz' 2026-02-10T11:43:17,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c/struc.xyz' 2026-02-10T11:43:17,517 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/c+/struc.xyz' 2026-02-10T11:43:17,519 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl/struc.xyz' 2026-02-10T11:43:17,521 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/cl+/struc.xyz' 2026-02-10T11:43:17,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f/struc.xyz' 2026-02-10T11:43:17,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/f+/struc.xyz' 2026-02-10T11:43:17,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/h/struc.xyz' 2026-02-10T11:43:17,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li/struc.xyz' 2026-02-10T11:43:17,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/li+/struc.xyz' 2026-02-10T11:43:17,530 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg/struc.xyz' 2026-02-10T11:43:17,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/mg+/struc.xyz' 2026-02-10T11:43:17,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n/struc.xyz' 2026-02-10T11:43:17,535 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/n+/struc.xyz' 2026-02-10T11:43:17,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na/struc.xyz' 2026-02-10T11:43:17,538 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/na+/struc.xyz' 2026-02-10T11:43:17,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o/struc.xyz' 2026-02-10T11:43:17,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/o+/struc.xyz' 2026-02-10T11:43:17,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p/struc.xyz' 2026-02-10T11:43:17,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/p+/struc.xyz' 2026-02-10T11:43:17,547 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s/struc.xyz' 2026-02-10T11:43:17,549 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/s+/struc.xyz' 2026-02-10T11:43:17,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si/struc.xyz' 2026-02-10T11:43:17,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G21IP/si+/struc.xyz' 2026-02-10T11:43:17,555 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/1/struc.xyz' 2026-02-10T11:43:17,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/100/struc.xyz' 2026-02-10T11:43:17,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/104/struc.xyz' 2026-02-10T11:43:17,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/106/struc.xyz' 2026-02-10T11:43:17,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/11/struc.xyz' 2026-02-10T11:43:17,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/113/struc.xyz' 2026-02-10T11:43:17,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/117/struc.xyz' 2026-02-10T11:43:17,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/118/struc.xyz' 2026-02-10T11:43:17,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/121/struc.xyz' 2026-02-10T11:43:17,572 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/126/struc.xyz' 2026-02-10T11:43:17,574 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/128/struc.xyz' 2026-02-10T11:43:17,576 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/13/struc.xyz' 2026-02-10T11:43:17,577 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/14/struc.xyz' 2026-02-10T11:43:17,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/18/struc.xyz' 2026-02-10T11:43:17,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/21/struc.xyz' 2026-02-10T11:43:17,582 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/22/struc.xyz' 2026-02-10T11:43:17,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/23/struc.xyz' 2026-02-10T11:43:17,586 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/24/struc.xyz' 2026-02-10T11:43:17,588 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/25/struc.xyz' 2026-02-10T11:43:17,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/26/struc.xyz' 2026-02-10T11:43:17,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/30/struc.xyz' 2026-02-10T11:43:17,594 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/32/struc.xyz' 2026-02-10T11:43:17,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/33/struc.xyz' 2026-02-10T11:43:17,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/34/struc.xyz' 2026-02-10T11:43:17,599 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/39/struc.xyz' 2026-02-10T11:43:17,601 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/40/struc.xyz' 2026-02-10T11:43:17,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/45/struc.xyz' 2026-02-10T11:43:17,604 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/47/struc.xyz' 2026-02-10T11:43:17,606 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/51/struc.xyz' 2026-02-10T11:43:17,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/52/struc.xyz' 2026-02-10T11:43:17,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/56/struc.xyz' 2026-02-10T11:43:17,611 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/57/struc.xyz' 2026-02-10T11:43:17,613 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/58/struc.xyz' 2026-02-10T11:43:17,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/59/struc.xyz' 2026-02-10T11:43:17,616 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/6/struc.xyz' 2026-02-10T11:43:17,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/60/struc.xyz' 2026-02-10T11:43:17,618 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/61/struc.xyz' 2026-02-10T11:43:17,620 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/62/struc.xyz' 2026-02-10T11:43:17,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/66/struc.xyz' 2026-02-10T11:43:17,623 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/67/struc.xyz' 2026-02-10T11:43:17,625 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/68/struc.xyz' 2026-02-10T11:43:17,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/73/struc.xyz' 2026-02-10T11:43:17,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/8/struc.xyz' 2026-02-10T11:43:17,631 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/82/struc.xyz' 2026-02-10T11:43:17,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/88/struc.xyz' 2026-02-10T11:43:17,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/94/struc.xyz' 2026-02-10T11:43:17,637 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/G2RC/97/struc.xyz' 2026-02-10T11:43:17,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benA/struc.xyz' 2026-02-10T11:43:17,642 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benAB/struc.xyz' 2026-02-10T11:43:17,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/11_benF3-benB/struc.xyz' 2026-02-10T11:43:17,645 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benA/struc.xyz' 2026-02-10T11:43:17,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benAB/struc.xyz' 2026-02-10T11:43:17,649 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/12_benF6-benB/struc.xyz' 2026-02-10T11:43:17,651 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneA/struc.xyz' 2026-02-10T11:43:17,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneAB/struc.xyz' 2026-02-10T11:43:17,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/19_benCl-acetoneB/struc.xyz' 2026-02-10T11:43:17,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneA/struc.xyz' 2026-02-10T11:43:17,658 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneAB/struc.xyz' 2026-02-10T11:43:17,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/20_benBr-acetoneB/struc.xyz' 2026-02-10T11:43:17,661 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneA/struc.xyz' 2026-02-10T11:43:17,663 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneAB/struc.xyz' 2026-02-10T11:43:17,665 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/21_benI-acetoneB/struc.xyz' 2026-02-10T11:43:17,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3A/struc.xyz' 2026-02-10T11:43:17,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3AB/struc.xyz' 2026-02-10T11:43:17,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/22_benCl-Nm3B/struc.xyz' 2026-02-10T11:43:17,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3A/struc.xyz' 2026-02-10T11:43:17,674 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3AB/struc.xyz' 2026-02-10T11:43:17,676 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/23_benBr-Nm3B/struc.xyz' 2026-02-10T11:43:17,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3A/struc.xyz' 2026-02-10T11:43:17,680 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3AB/struc.xyz' 2026-02-10T11:43:17,682 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/24_benI-Nm3B/struc.xyz' 2026-02-10T11:43:17,684 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHA/struc.xyz' 2026-02-10T11:43:17,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHAB/struc.xyz' 2026-02-10T11:43:17,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/25_benBr-mSHB/struc.xyz' 2026-02-10T11:43:17,689 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHA/struc.xyz' 2026-02-10T11:43:17,691 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHAB/struc.xyz' 2026-02-10T11:43:17,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/26_benI-mSHB/struc.xyz' 2026-02-10T11:43:17,695 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benA/struc.xyz' 2026-02-10T11:43:17,697 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benAB/struc.xyz' 2026-02-10T11:43:17,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/27_CH3Br-benB/struc.xyz' 2026-02-10T11:43:17,700 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benA/struc.xyz' 2026-02-10T11:43:17,702 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benAB/struc.xyz' 2026-02-10T11:43:17,704 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/28_CH3I-benB/struc.xyz' 2026-02-10T11:43:17,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benA/struc.xyz' 2026-02-10T11:43:17,707 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benAB/struc.xyz' 2026-02-10T11:43:17,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/29_CF3Br-benB/struc.xyz' 2026-02-10T11:43:17,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benA/struc.xyz' 2026-02-10T11:43:17,712 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benAB/struc.xyz' 2026-02-10T11:43:17,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/30_CF3I-benB/struc.xyz' 2026-02-10T11:43:17,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr/struc.xyz' 2026-02-10T11:43:17,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FCCH/struc.xyz' 2026-02-10T11:43:17,719 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_FMe/struc.xyz' 2026-02-10T11:43:17,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NCH/struc.xyz' 2026-02-10T11:43:17,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_NH3/struc.xyz' 2026-02-10T11:43:17,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OCH2/struc.xyz' 2026-02-10T11:43:17,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_OPH3/struc.xyz' 2026-02-10T11:43:17,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_PCH/struc.xyz' 2026-02-10T11:43:17,730 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/BrBr_pyr/struc.xyz' 2026-02-10T11:43:17,732 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/F3CI/struc.xyz' 2026-02-10T11:43:17,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FBr/struc.xyz' 2026-02-10T11:43:17,735 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCCH/struc.xyz' 2026-02-10T11:43:17,737 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FCl/struc.xyz' 2026-02-10T11:43:17,739 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI/struc.xyz' 2026-02-10T11:43:17,740 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FCCH/struc.xyz' 2026-02-10T11:43:17,742 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_FMe/struc.xyz' 2026-02-10T11:43:17,744 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NCH/struc.xyz' 2026-02-10T11:43:17,746 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_NH3/struc.xyz' 2026-02-10T11:43:17,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OCH2/struc.xyz' 2026-02-10T11:43:17,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_OPH3/struc.xyz' 2026-02-10T11:43:17,752 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_PCH/struc.xyz' 2026-02-10T11:43:17,754 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FI_pyr/struc.xyz' 2026-02-10T11:43:17,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/FMe/struc.xyz' 2026-02-10T11:43:17,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI/struc.xyz' 2026-02-10T11:43:17,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FCCH/struc.xyz' 2026-02-10T11:43:17,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_FMe/struc.xyz' 2026-02-10T11:43:17,765 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NCH/struc.xyz' 2026-02-10T11:43:17,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_NH3/struc.xyz' 2026-02-10T11:43:17,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OCH2/struc.xyz' 2026-02-10T11:43:17,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_OPH3/struc.xyz' 2026-02-10T11:43:17,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_PCH/struc.xyz' 2026-02-10T11:43:17,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/MeI_pyr/struc.xyz' 2026-02-10T11:43:17,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NBS/struc.xyz' 2026-02-10T11:43:17,777 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH/struc.xyz' 2026-02-10T11:43:17,779 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_F3CI/struc.xyz' 2026-02-10T11:43:17,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FBr/struc.xyz' 2026-02-10T11:43:17,782 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_FCl/struc.xyz' 2026-02-10T11:43:17,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NBS/struc.xyz' 2026-02-10T11:43:17,785 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_NIS/struc.xyz' 2026-02-10T11:43:17,787 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhBr/struc.xyz' 2026-02-10T11:43:17,788 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NCH_PhI/struc.xyz' 2026-02-10T11:43:17,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3/struc.xyz' 2026-02-10T11:43:17,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_F3CI/struc.xyz' 2026-02-10T11:43:17,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FBr/struc.xyz' 2026-02-10T11:43:17,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_FCl/struc.xyz' 2026-02-10T11:43:17,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NBS/struc.xyz' 2026-02-10T11:43:17,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_NIS/struc.xyz' 2026-02-10T11:43:17,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhBr/struc.xyz' 2026-02-10T11:43:17,801 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NH3_PhI/struc.xyz' 2026-02-10T11:43:17,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/NIS/struc.xyz' 2026-02-10T11:43:17,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OCH2/struc.xyz' 2026-02-10T11:43:17,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/OPH3/struc.xyz' 2026-02-10T11:43:17,808 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH/struc.xyz' 2026-02-10T11:43:17,810 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_F3CI/struc.xyz' 2026-02-10T11:43:17,811 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FBr/struc.xyz' 2026-02-10T11:43:17,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_FCl/struc.xyz' 2026-02-10T11:43:17,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NBS/struc.xyz' 2026-02-10T11:43:17,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_NIS/struc.xyz' 2026-02-10T11:43:17,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhBr/struc.xyz' 2026-02-10T11:43:17,820 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PCH_PhI/struc.xyz' 2026-02-10T11:43:17,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhBr/struc.xyz' 2026-02-10T11:43:17,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/PhI/struc.xyz' 2026-02-10T11:43:17,825 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HAL59/pyr/struc.xyz' 2026-02-10T11:43:17,828 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3/struc.xyz' 2026-02-10T11:43:17,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_2/struc.xyz' 2026-02-10T11:43:17,831 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2o/struc.xyz' 2026-02-10T11:43:17,833 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_h2s/struc.xyz' 2026-02-10T11:43:17,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hbr/struc.xyz' 2026-02-10T11:43:17,836 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hcl/struc.xyz' 2026-02-10T11:43:17,838 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_hi/struc.xyz' 2026-02-10T11:43:17,840 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/bih3_nh3/struc.xyz' 2026-02-10T11:43:17,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2o/struc.xyz' 2026-02-10T11:43:17,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/h2s/struc.xyz' 2026-02-10T11:43:17,845 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hbr/struc.xyz' 2026-02-10T11:43:17,847 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hcl/struc.xyz' 2026-02-10T11:43:17,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/hi/struc.xyz' 2026-02-10T11:43:17,850 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/nh3/struc.xyz' 2026-02-10T11:43:17,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4/struc.xyz' 2026-02-10T11:43:17,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_2/struc.xyz' 2026-02-10T11:43:17,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_bih3/struc.xyz' 2026-02-10T11:43:17,856 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_h2o/struc.xyz' 2026-02-10T11:43:17,858 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hbr/struc.xyz' 2026-02-10T11:43:17,860 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hcl/struc.xyz' 2026-02-10T11:43:17,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_hi/struc.xyz' 2026-02-10T11:43:17,863 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/pbh4_teh2/struc.xyz' 2026-02-10T11:43:17,865 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3/struc.xyz' 2026-02-10T11:43:17,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_2/struc.xyz' 2026-02-10T11:43:17,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2o/struc.xyz' 2026-02-10T11:43:17,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_h2s/struc.xyz' 2026-02-10T11:43:17,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hbr/struc.xyz' 2026-02-10T11:43:17,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hcl/struc.xyz' 2026-02-10T11:43:17,876 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_hi/struc.xyz' 2026-02-10T11:43:17,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/sbh3_nh3/struc.xyz' 2026-02-10T11:43:17,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2/struc.xyz' 2026-02-10T11:43:17,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_2/struc.xyz' 2026-02-10T11:43:17,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2o/struc.xyz' 2026-02-10T11:43:17,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_h2s/struc.xyz' 2026-02-10T11:43:17,885 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hbr/struc.xyz' 2026-02-10T11:43:17,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hcl/struc.xyz' 2026-02-10T11:43:17,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_hi/struc.xyz' 2026-02-10T11:43:17,891 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVY28/teh2_nh3/struc.xyz' 2026-02-10T11:43:17,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/as2me4/struc.xyz' 2026-02-10T11:43:17,896 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/asme2/struc.xyz' 2026-02-10T11:43:17,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br/struc.xyz' 2026-02-10T11:43:17,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/br2/struc.xyz' 2026-02-10T11:43:17,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl/struc.xyz' 2026-02-10T11:43:17,903 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/cl2/struc.xyz' 2026-02-10T11:43:17,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/ge2h6/struc.xyz' 2026-02-10T11:43:17,906 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/geh3/struc.xyz' 2026-02-10T11:43:17,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2s2/struc.xyz' 2026-02-10T11:43:17,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/h2se2/struc.xyz' 2026-02-10T11:43:17,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/p2me4/struc.xyz' 2026-02-10T11:43:17,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pb2me6/struc.xyz' 2026-02-10T11:43:17,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pbme3/struc.xyz' 2026-02-10T11:43:17,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/pme2/struc.xyz' 2026-02-10T11:43:17,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sb2me4/struc.xyz' 2026-02-10T11:43:17,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sbme2/struc.xyz' 2026-02-10T11:43:17,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/seh/struc.xyz' 2026-02-10T11:43:17,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sh/struc.xyz' 2026-02-10T11:43:17,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/sn2me6/struc.xyz' 2026-02-10T11:43:17,926 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/snme3/struc.xyz' 2026-02-10T11:43:17,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/te2me2/struc.xyz' 2026-02-10T11:43:17,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/HEAVYSB11/teme/struc.xyz' 2026-02-10T11:43:17,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_1/struc.xyz' 2026-02-10T11:43:17,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_2/struc.xyz' 2026-02-10T11:43:17,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H2S2O7_3/struc.xyz' 2026-02-10T11:43:17,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_1/struc.xyz' 2026-02-10T11:43:17,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_2/struc.xyz' 2026-02-10T11:43:17,941 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_3/struc.xyz' 2026-02-10T11:43:17,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/H4P2O7_4/struc.xyz' 2026-02-10T11:43:17,945 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_1/struc.xyz' 2026-02-10T11:43:17,947 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_2/struc.xyz' 2026-02-10T11:43:17,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3H5_3/struc.xyz' 2026-02-10T11:43:17,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_1/struc.xyz' 2026-02-10T11:43:17,952 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N3P3H12_2/struc.xyz' 2026-02-10T11:43:17,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_1/struc.xyz' 2026-02-10T11:43:17,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_2/struc.xyz' 2026-02-10T11:43:17,957 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/N4H6_3/struc.xyz' 2026-02-10T11:43:17,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_1/struc.xyz' 2026-02-10T11:43:17,960 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/P7H7_2/struc.xyz' 2026-02-10T11:43:17,962 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_1/struc.xyz' 2026-02-10T11:43:17,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S4O4_2/struc.xyz' 2026-02-10T11:43:17,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_1/struc.xyz' 2026-02-10T11:43:17,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/S8_2/struc.xyz' 2026-02-10T11:43:17,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_1/struc.xyz' 2026-02-10T11:43:17,970 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_2/struc.xyz' 2026-02-10T11:43:17,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_3/struc.xyz' 2026-02-10T11:43:17,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI5H12_4/struc.xyz' 2026-02-10T11:43:17,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_1/struc.xyz' 2026-02-10T11:43:17,978 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ICONF/SI6H12_2/struc.xyz' 2026-02-10T11:43:17,980 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14f/struc.xyz' 2026-02-10T11:43:17,982 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F14l/struc.xyz' 2026-02-10T11:43:17,984 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22f/struc.xyz' 2026-02-10T11:43:17,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/F22l/struc.xyz' 2026-02-10T11:43:17,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/ant/struc.xyz' 2026-02-10T11:43:17,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/antdimer/struc.xyz' 2026-02-10T11:43:17,992 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/h2/struc.xyz' 2026-02-10T11:43:17,994 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane1/struc.xyz' 2026-02-10T11:43:17,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/octane2/struc.xyz' 2026-02-10T11:43:17,997 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pc22/struc.xyz' 2026-02-10T11:43:18,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/pxylene/struc.xyz' 2026-02-10T11:43:18,001 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan1/struc.xyz' 2026-02-10T11:43:18,003 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IDISP/undecan2/struc.xyz' 2026-02-10T11:43:18,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008/struc.xyz' 2026-02-10T11:43:18,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008A/struc.xyz' 2026-02-10T11:43:18,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/008B/struc.xyz' 2026-02-10T11:43:18,010 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144/struc.xyz' 2026-02-10T11:43:18,012 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144A/struc.xyz' 2026-02-10T11:43:18,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/144B/struc.xyz' 2026-02-10T11:43:18,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147/struc.xyz' 2026-02-10T11:43:18,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147A/struc.xyz' 2026-02-10T11:43:18,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/147B/struc.xyz' 2026-02-10T11:43:18,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148/struc.xyz' 2026-02-10T11:43:18,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148A/struc.xyz' 2026-02-10T11:43:18,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/148B/struc.xyz' 2026-02-10T11:43:18,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150/struc.xyz' 2026-02-10T11:43:18,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150A/struc.xyz' 2026-02-10T11:43:18,029 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/150B/struc.xyz' 2026-02-10T11:43:18,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152/struc.xyz' 2026-02-10T11:43:18,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152A/struc.xyz' 2026-02-10T11:43:18,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/152B/struc.xyz' 2026-02-10T11:43:18,035 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187/struc.xyz' 2026-02-10T11:43:18,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187A/struc.xyz' 2026-02-10T11:43:18,039 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/187B/struc.xyz' 2026-02-10T11:43:18,041 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202/struc.xyz' 2026-02-10T11:43:18,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202A/struc.xyz' 2026-02-10T11:43:18,044 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/202B/struc.xyz' 2026-02-10T11:43:18,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212/struc.xyz' 2026-02-10T11:43:18,047 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212A/struc.xyz' 2026-02-10T11:43:18,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/212B/struc.xyz' 2026-02-10T11:43:18,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213/struc.xyz' 2026-02-10T11:43:18,053 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213A/struc.xyz' 2026-02-10T11:43:18,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/213B/struc.xyz' 2026-02-10T11:43:18,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214/struc.xyz' 2026-02-10T11:43:18,058 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214A/struc.xyz' 2026-02-10T11:43:18,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/214B/struc.xyz' 2026-02-10T11:43:18,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227/struc.xyz' 2026-02-10T11:43:18,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227A/struc.xyz' 2026-02-10T11:43:18,064 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/227B/struc.xyz' 2026-02-10T11:43:18,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228/struc.xyz' 2026-02-10T11:43:18,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228A/struc.xyz' 2026-02-10T11:43:18,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/228B/struc.xyz' 2026-02-10T11:43:18,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229/struc.xyz' 2026-02-10T11:43:18,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229A/struc.xyz' 2026-02-10T11:43:18,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/229B/struc.xyz' 2026-02-10T11:43:18,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230/struc.xyz' 2026-02-10T11:43:18,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230A/struc.xyz' 2026-02-10T11:43:18,082 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/230B/struc.xyz' 2026-02-10T11:43:18,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231/struc.xyz' 2026-02-10T11:43:18,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231A/struc.xyz' 2026-02-10T11:43:18,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/IL16/231B/struc.xyz' 2026-02-10T11:43:18,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene/struc.xyz' 2026-02-10T11:43:18,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Corannulene_TS/struc.xyz' 2026-02-10T11:43:18,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene/struc.xyz' 2026-02-10T11:43:18,095 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/BN_Sumanene_TS/struc.xyz' 2026-02-10T11:43:18,097 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene/struc.xyz' 2026-02-10T11:43:18,099 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Corannulene_TS/struc.xyz' 2026-02-10T11:43:18,102 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole/struc.xyz' 2026-02-10T11:43:18,103 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocarbazole_TS/struc.xyz' 2026-02-10T11:43:18,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene/struc.xyz' 2026-02-10T11:43:18,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Dibenzocycloheptene_TS/struc.xyz' 2026-02-10T11:43:18,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether/struc.xyz' 2026-02-10T11:43:18,111 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Ether_TS/struc.xyz' 2026-02-10T11:43:18,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O/struc.xyz' 2026-02-10T11:43:18,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2O_TS/struc.xyz' 2026-02-10T11:43:18,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S/struc.xyz' 2026-02-10T11:43:18,118 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/H2S_TS/struc.xyz' 2026-02-10T11:43:18,120 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene/struc.xyz' 2026-02-10T11:43:18,121 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Hexahelicene_TS/struc.xyz' 2026-02-10T11:43:18,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine/struc.xyz' 2026-02-10T11:43:18,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Methinecyanine_TS/struc.xyz' 2026-02-10T11:43:18,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3/struc.xyz' 2026-02-10T11:43:18,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NCl3_TS/struc.xyz' 2026-02-10T11:43:18,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3/struc.xyz' 2026-02-10T11:43:18,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/NMe3_TS/struc.xyz' 2026-02-10T11:43:18,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3/struc.xyz' 2026-02-10T11:43:18,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PCl3_TS/struc.xyz' 2026-02-10T11:43:18,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph/struc.xyz' 2026-02-10T11:43:18,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PH2Ph_TS/struc.xyz' 2026-02-10T11:43:18,142 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3/struc.xyz' 2026-02-10T11:43:18,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PMe3_TS/struc.xyz' 2026-02-10T11:43:18,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3/struc.xyz' 2026-02-10T11:43:18,148 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/PPh3_TS/struc.xyz' 2026-02-10T11:43:18,150 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene/struc.xyz' 2026-02-10T11:43:18,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Pentahelicene_TS/struc.xyz' 2026-02-10T11:43:18,154 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2/struc.xyz' 2026-02-10T11:43:18,156 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/SO2_TS/struc.xyz' 2026-02-10T11:43:18,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene/struc.xyz' 2026-02-10T11:43:18,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Sumanene_TS/struc.xyz' 2026-02-10T11:43:18,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene/struc.xyz' 2026-02-10T11:43:18,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrabenzopyracylene_TS/struc.xyz' 2026-02-10T11:43:18,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene/struc.xyz' 2026-02-10T11:43:18,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Tetrahelicene_TS/struc.xyz' 2026-02-10T11:43:18,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether/struc.xyz' 2026-02-10T11:43:18,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Thioether_TS/struc.xyz' 2026-02-10T11:43:18,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene/struc.xyz' 2026-02-10T11:43:18,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triazasumanene_TS/struc.xyz' 2026-02-10T11:43:18,177 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene/struc.xyz' 2026-02-10T11:43:18,179 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/INV24/Triindenotriphenylene_TS/struc.xyz' 2026-02-10T11:43:18,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E1/struc.xyz' 2026-02-10T11:43:18,184 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E10/struc.xyz' 2026-02-10T11:43:18,185 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E11/struc.xyz' 2026-02-10T11:43:18,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E12/struc.xyz' 2026-02-10T11:43:18,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E13/struc.xyz' 2026-02-10T11:43:18,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E14/struc.xyz' 2026-02-10T11:43:18,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E15/struc.xyz' 2026-02-10T11:43:18,194 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E16/struc.xyz' 2026-02-10T11:43:18,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E17/struc.xyz' 2026-02-10T11:43:18,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E18/struc.xyz' 2026-02-10T11:43:18,199 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E19/struc.xyz' 2026-02-10T11:43:18,201 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E20/struc.xyz' 2026-02-10T11:43:18,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E21/struc.xyz' 2026-02-10T11:43:18,204 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E22/struc.xyz' 2026-02-10T11:43:18,206 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E23/struc.xyz' 2026-02-10T11:43:18,208 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E24/struc.xyz' 2026-02-10T11:43:18,210 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E25/struc.xyz' 2026-02-10T11:43:18,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E26/struc.xyz' 2026-02-10T11:43:18,213 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E27/struc.xyz' 2026-02-10T11:43:18,215 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E28/struc.xyz' 2026-02-10T11:43:18,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E29/struc.xyz' 2026-02-10T11:43:18,218 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E3/struc.xyz' 2026-02-10T11:43:18,220 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E30/struc.xyz' 2026-02-10T11:43:18,222 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E31/struc.xyz' 2026-02-10T11:43:18,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E32/struc.xyz' 2026-02-10T11:43:18,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E33/struc.xyz' 2026-02-10T11:43:18,227 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E34/struc.xyz' 2026-02-10T11:43:18,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E4/struc.xyz' 2026-02-10T11:43:18,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E5/struc.xyz' 2026-02-10T11:43:18,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E7/struc.xyz' 2026-02-10T11:43:18,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E8/struc.xyz' 2026-02-10T11:43:18,236 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/E9/struc.xyz' 2026-02-10T11:43:18,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P1/struc.xyz' 2026-02-10T11:43:18,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P10/struc.xyz' 2026-02-10T11:43:18,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P11/struc.xyz' 2026-02-10T11:43:18,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P12/struc.xyz' 2026-02-10T11:43:18,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P13/struc.xyz' 2026-02-10T11:43:18,246 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P14/struc.xyz' 2026-02-10T11:43:18,247 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P15/struc.xyz' 2026-02-10T11:43:18,249 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P16/struc.xyz' 2026-02-10T11:43:18,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P17/struc.xyz' 2026-02-10T11:43:18,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P18/struc.xyz' 2026-02-10T11:43:18,253 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P2/struc.xyz' 2026-02-10T11:43:18,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P20/struc.xyz' 2026-02-10T11:43:18,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P21/struc.xyz' 2026-02-10T11:43:18,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P23/struc.xyz' 2026-02-10T11:43:18,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P24/struc.xyz' 2026-02-10T11:43:18,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P25/struc.xyz' 2026-02-10T11:43:18,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P26/struc.xyz' 2026-02-10T11:43:18,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P27/struc.xyz' 2026-02-10T11:43:18,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P28/struc.xyz' 2026-02-10T11:43:18,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P29/struc.xyz' 2026-02-10T11:43:18,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P3/struc.xyz' 2026-02-10T11:43:18,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P30/struc.xyz' 2026-02-10T11:43:18,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P31/struc.xyz' 2026-02-10T11:43:18,275 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P32/struc.xyz' 2026-02-10T11:43:18,277 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P33/struc.xyz' 2026-02-10T11:43:18,279 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P34/struc.xyz' 2026-02-10T11:43:18,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P4/struc.xyz' 2026-02-10T11:43:18,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P6/struc.xyz' 2026-02-10T11:43:18,284 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P7/struc.xyz' 2026-02-10T11:43:18,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P8/struc.xyz' 2026-02-10T11:43:18,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISO34/P9/struc.xyz' 2026-02-10T11:43:18,290 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10e/struc.xyz' 2026-02-10T11:43:18,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i10p/struc.xyz' 2026-02-10T11:43:18,294 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11e/struc.xyz' 2026-02-10T11:43:18,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i11p/struc.xyz' 2026-02-10T11:43:18,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12e/struc.xyz' 2026-02-10T11:43:18,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i12p/struc.xyz' 2026-02-10T11:43:18,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13e/struc.xyz' 2026-02-10T11:43:18,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i13p/struc.xyz' 2026-02-10T11:43:18,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14e/struc.xyz' 2026-02-10T11:43:18,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i14p/struc.xyz' 2026-02-10T11:43:18,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15e/struc.xyz' 2026-02-10T11:43:18,311 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i15p/struc.xyz' 2026-02-10T11:43:18,313 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16e/struc.xyz' 2026-02-10T11:43:18,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i16p/struc.xyz' 2026-02-10T11:43:18,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17e/struc.xyz' 2026-02-10T11:43:18,319 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i17p/struc.xyz' 2026-02-10T11:43:18,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18e/struc.xyz' 2026-02-10T11:43:18,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i18p/struc.xyz' 2026-02-10T11:43:18,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19e/struc.xyz' 2026-02-10T11:43:18,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i19p/struc.xyz' 2026-02-10T11:43:18,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1e/struc.xyz' 2026-02-10T11:43:18,330 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i1p/struc.xyz' 2026-02-10T11:43:18,332 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20e/struc.xyz' 2026-02-10T11:43:18,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i20p/struc.xyz' 2026-02-10T11:43:18,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21e/struc.xyz' 2026-02-10T11:43:18,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i21p/struc.xyz' 2026-02-10T11:43:18,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22e/struc.xyz' 2026-02-10T11:43:18,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i22p/struc.xyz' 2026-02-10T11:43:18,345 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23e/struc.xyz' 2026-02-10T11:43:18,347 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i23p/struc.xyz' 2026-02-10T11:43:18,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24e/struc.xyz' 2026-02-10T11:43:18,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i24p/struc.xyz' 2026-02-10T11:43:18,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2e/struc.xyz' 2026-02-10T11:43:18,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i2p/struc.xyz' 2026-02-10T11:43:18,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3e/struc.xyz' 2026-02-10T11:43:18,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i3p/struc.xyz' 2026-02-10T11:43:18,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4e/struc.xyz' 2026-02-10T11:43:18,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i4p/struc.xyz' 2026-02-10T11:43:18,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5e/struc.xyz' 2026-02-10T11:43:18,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i5p/struc.xyz' 2026-02-10T11:43:18,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6e/struc.xyz' 2026-02-10T11:43:18,372 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i6p/struc.xyz' 2026-02-10T11:43:18,374 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7e/struc.xyz' 2026-02-10T11:43:18,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i7p/struc.xyz' 2026-02-10T11:43:18,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8e/struc.xyz' 2026-02-10T11:43:18,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i8p/struc.xyz' 2026-02-10T11:43:18,382 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9e/struc.xyz' 2026-02-10T11:43:18,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/ISOL24/i9p/struc.xyz' 2026-02-10T11:43:18,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/01/struc.xyz' 2026-02-10T11:43:18,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/02/struc.xyz' 2026-02-10T11:43:18,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/03/struc.xyz' 2026-02-10T11:43:18,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/04/struc.xyz' 2026-02-10T11:43:18,394 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/05/struc.xyz' 2026-02-10T11:43:18,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/06/struc.xyz' 2026-02-10T11:43:18,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/07/struc.xyz' 2026-02-10T11:43:18,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/08/struc.xyz' 2026-02-10T11:43:18,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/09/struc.xyz' 2026-02-10T11:43:18,404 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/10/struc.xyz' 2026-02-10T11:43:18,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/11/struc.xyz' 2026-02-10T11:43:18,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/12/struc.xyz' 2026-02-10T11:43:18,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/13/struc.xyz' 2026-02-10T11:43:18,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/14/struc.xyz' 2026-02-10T11:43:18,414 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/15/struc.xyz' 2026-02-10T11:43:18,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/16/struc.xyz' 2026-02-10T11:43:18,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/17/struc.xyz' 2026-02-10T11:43:18,420 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/18/struc.xyz' 2026-02-10T11:43:18,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/19/struc.xyz' 2026-02-10T11:43:18,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/20/struc.xyz' 2026-02-10T11:43:18,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/21/struc.xyz' 2026-02-10T11:43:18,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/22/struc.xyz' 2026-02-10T11:43:18,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/23/struc.xyz' 2026-02-10T11:43:18,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/24/struc.xyz' 2026-02-10T11:43:18,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/25/struc.xyz' 2026-02-10T11:43:18,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/26/struc.xyz' 2026-02-10T11:43:18,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/27/struc.xyz' 2026-02-10T11:43:18,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/28/struc.xyz' 2026-02-10T11:43:18,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/29/struc.xyz' 2026-02-10T11:43:18,440 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/30/struc.xyz' 2026-02-10T11:43:18,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/31/struc.xyz' 2026-02-10T11:43:18,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/32/struc.xyz' 2026-02-10T11:43:18,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/33/struc.xyz' 2026-02-10T11:43:18,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/34/struc.xyz' 2026-02-10T11:43:18,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/35/struc.xyz' 2026-02-10T11:43:18,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/36/struc.xyz' 2026-02-10T11:43:18,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/37/struc.xyz' 2026-02-10T11:43:18,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/38/struc.xyz' 2026-02-10T11:43:18,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/39/struc.xyz' 2026-02-10T11:43:18,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/40/struc.xyz' 2026-02-10T11:43:18,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/41/struc.xyz' 2026-02-10T11:43:18,463 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/42/struc.xyz' 2026-02-10T11:43:18,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/43/struc.xyz' 2026-02-10T11:43:18,467 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/AlH3/struc.xyz' 2026-02-10T11:43:18,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BH3/struc.xyz' 2026-02-10T11:43:18,470 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/BeH2/struc.xyz' 2026-02-10T11:43:18,472 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/CH4/struc.xyz' 2026-02-10T11:43:18,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/Cl2/struc.xyz' 2026-02-10T11:43:18,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/F2/struc.xyz' 2026-02-10T11:43:18,477 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/H2/struc.xyz' 2026-02-10T11:43:18,479 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/LiH/struc.xyz' 2026-02-10T11:43:18,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/MgH2/struc.xyz' 2026-02-10T11:43:18,483 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/N2/struc.xyz' 2026-02-10T11:43:18,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/NaH/struc.xyz' 2026-02-10T11:43:18,486 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/O2/struc.xyz' 2026-02-10T11:43:18,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/P2/struc.xyz' 2026-02-10T11:43:18,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/S2/struc.xyz' 2026-02-10T11:43:18,491 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MB16-43/SiH4/struc.xyz' 2026-02-10T11:43:18,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/1/struc.xyz' 2026-02-10T11:43:18,497 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/10/struc.xyz' 2026-02-10T11:43:18,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/11/struc.xyz' 2026-02-10T11:43:18,501 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/12/struc.xyz' 2026-02-10T11:43:18,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/13/struc.xyz' 2026-02-10T11:43:18,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/14/struc.xyz' 2026-02-10T11:43:18,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/15/struc.xyz' 2026-02-10T11:43:18,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/16/struc.xyz' 2026-02-10T11:43:18,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/17/struc.xyz' 2026-02-10T11:43:18,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/18/struc.xyz' 2026-02-10T11:43:18,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/19/struc.xyz' 2026-02-10T11:43:18,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/2/struc.xyz' 2026-02-10T11:43:18,518 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/20/struc.xyz' 2026-02-10T11:43:18,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/21/struc.xyz' 2026-02-10T11:43:18,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/22/struc.xyz' 2026-02-10T11:43:18,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/23/struc.xyz' 2026-02-10T11:43:18,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/24/struc.xyz' 2026-02-10T11:43:18,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/25/struc.xyz' 2026-02-10T11:43:18,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/26/struc.xyz' 2026-02-10T11:43:18,531 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/27/struc.xyz' 2026-02-10T11:43:18,533 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/28/struc.xyz' 2026-02-10T11:43:18,535 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/29/struc.xyz' 2026-02-10T11:43:18,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/3/struc.xyz' 2026-02-10T11:43:18,538 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/30/struc.xyz' 2026-02-10T11:43:18,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/31/struc.xyz' 2026-02-10T11:43:18,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/32/struc.xyz' 2026-02-10T11:43:18,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/33/struc.xyz' 2026-02-10T11:43:18,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/34/struc.xyz' 2026-02-10T11:43:18,548 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/35/struc.xyz' 2026-02-10T11:43:18,550 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/36/struc.xyz' 2026-02-10T11:43:18,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/37/struc.xyz' 2026-02-10T11:43:18,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/38/struc.xyz' 2026-02-10T11:43:18,555 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/39/struc.xyz' 2026-02-10T11:43:18,557 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/4/struc.xyz' 2026-02-10T11:43:18,559 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/40/struc.xyz' 2026-02-10T11:43:18,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/41/struc.xyz' 2026-02-10T11:43:18,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/42/struc.xyz' 2026-02-10T11:43:18,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/43/struc.xyz' 2026-02-10T11:43:18,567 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/44/struc.xyz' 2026-02-10T11:43:18,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/45/struc.xyz' 2026-02-10T11:43:18,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/46/struc.xyz' 2026-02-10T11:43:18,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/47/struc.xyz' 2026-02-10T11:43:18,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/48/struc.xyz' 2026-02-10T11:43:18,577 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/49/struc.xyz' 2026-02-10T11:43:18,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/5/struc.xyz' 2026-02-10T11:43:18,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/50/struc.xyz' 2026-02-10T11:43:18,583 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/51/struc.xyz' 2026-02-10T11:43:18,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/52/struc.xyz' 2026-02-10T11:43:18,586 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/6/struc.xyz' 2026-02-10T11:43:18,588 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/7/struc.xyz' 2026-02-10T11:43:18,590 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/8/struc.xyz' 2026-02-10T11:43:18,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/MCONF/9/struc.xyz' 2026-02-10T11:43:18,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3/struc.xyz' 2026-02-10T11:43:18,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BCl3PMe3/struc.xyz' 2026-02-10T11:43:18,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3/struc.xyz' 2026-02-10T11:43:18,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BF3PMe3/struc.xyz' 2026-02-10T11:43:18,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3/struc.xyz' 2026-02-10T11:43:18,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/BH3PH3/struc.xyz' 2026-02-10T11:43:18,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/H2/struc.xyz' 2026-02-10T11:43:18,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_Cl/struc.xyz' 2026-02-10T11:43:18,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_F/struc.xyz' 2026-02-10T11:43:18,611 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/K_H/struc.xyz' 2026-02-10T11:43:18,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PH3/struc.xyz' 2026-02-10T11:43:18,614 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/PMe3/struc.xyz' 2026-02-10T11:43:18,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bh3/struc.xyz' 2026-02-10T11:43:18,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/bz/struc.xyz' 2026-02-10T11:43:18,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/cbut/struc.xyz' 2026-02-10T11:43:18,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/ch/struc.xyz' 2026-02-10T11:43:18,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/h2/struc.xyz' 2026-02-10T11:43:18,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh-bh/struc.xyz' 2026-02-10T11:43:18,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh2-bh2/struc.xyz' 2026-02-10T11:43:18,627 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3/struc.xyz' 2026-02-10T11:43:18,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/NBPRC/nh3-bh3/struc.xyz' 2026-02-10T11:43:18,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/A/struc.xyz' 2026-02-10T11:43:18,635 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Ap/struc.xyz' 2026-02-10T11:43:18,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/C/struc.xyz' 2026-02-10T11:43:18,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Cp/struc.xyz' 2026-02-10T11:43:18,640 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/G/struc.xyz' 2026-02-10T11:43:18,642 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Gp/struc.xyz' 2026-02-10T11:43:18,644 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/T/struc.xyz' 2026-02-10T11:43:18,646 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/Tp/struc.xyz' 2026-02-10T11:43:18,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ass/struc.xyz' 2026-02-10T11:43:18,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/assp/struc.xyz' 2026-02-10T11:43:18,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6/struc.xyz' 2026-02-10T11:43:18,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2f6p/struc.xyz' 2026-02-10T11:43:18,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2/struc.xyz' 2026-02-10T11:43:18,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/c2h2p/struc.xyz' 2026-02-10T11:43:18,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2s/struc.xyz' 2026-02-10T11:43:18,661 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch2sp/struc.xyz' 2026-02-10T11:43:18,663 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3cooh/struc.xyz' 2026-02-10T11:43:18,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ch3coohp/struc.xyz' 2026-02-10T11:43:18,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cys/struc.xyz' 2026-02-10T11:43:18,668 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/cysp/struc.xyz' 2026-02-10T11:43:18,670 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanol/struc.xyz' 2026-02-10T11:43:18,672 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ethanolp/struc.xyz' 2026-02-10T11:43:18,674 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/gly/struc.xyz' 2026-02-10T11:43:18,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/glyp/struc.xyz' 2026-02-10T11:43:18,677 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2/struc.xyz' 2026-02-10T11:43:18,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2o/struc.xyz' 2026-02-10T11:43:18,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2op/struc.xyz' 2026-02-10T11:43:18,683 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2p/struc.xyz' 2026-02-10T11:43:18,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2s/struc.xyz' 2026-02-10T11:43:18,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/h2sp/struc.xyz' 2026-02-10T11:43:18,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hcl/struc.xyz' 2026-02-10T11:43:18,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/hclp/struc.xyz' 2026-02-10T11:43:18,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3/struc.xyz' 2026-02-10T11:43:18,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/nh3p/struc.xyz' 2026-02-10T11:43:18,695 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2/struc.xyz' 2026-02-10T11:43:18,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p2p/struc.xyz' 2026-02-10T11:43:18,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4/struc.xyz' 2026-02-10T11:43:18,700 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p4p/struc.xyz' 2026-02-10T11:43:18,701 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6/struc.xyz' 2026-02-10T11:43:18,703 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p6p/struc.xyz' 2026-02-10T11:43:18,705 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8/struc.xyz' 2026-02-10T11:43:18,707 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/p8p/struc.xyz' 2026-02-10T11:43:18,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3/struc.xyz' 2026-02-10T11:43:18,710 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/ph3p/struc.xyz' 2026-02-10T11:43:18,712 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenol/struc.xyz' 2026-02-10T11:43:18,713 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phenolp/struc.xyz' 2026-02-10T11:43:18,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrol/struc.xyz' 2026-02-10T11:43:18,716 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/phosphapyrrolp/struc.xyz' 2026-02-10T11:43:18,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6/struc.xyz' 2026-02-10T11:43:18,720 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/si2h6p/struc.xyz' 2026-02-10T11:43:18,722 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4/struc.xyz' 2026-02-10T11:43:18,724 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PA26/sih4p/struc.xyz' 2026-02-10T11:43:18,727 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A0/struc.xyz' 2026-02-10T11:43:18,729 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A1/struc.xyz' 2026-02-10T11:43:18,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/A2/struc.xyz' 2026-02-10T11:43:18,733 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T0/struc.xyz' 2026-02-10T11:43:18,734 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T1/struc.xyz' 2026-02-10T11:43:18,736 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T2/struc.xyz' 2026-02-10T11:43:18,738 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/T3/struc.xyz' 2026-02-10T11:43:18,740 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz1/struc.xyz' 2026-02-10T11:43:18,741 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz2/struc.xyz' 2026-02-10T11:43:18,743 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/aminocoohbz3/struc.xyz' 2026-02-10T11:43:18,745 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg0/struc.xyz' 2026-02-10T11:43:18,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/arg2/struc.xyz' 2026-02-10T11:43:18,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl41/struc.xyz' 2026-02-10T11:43:18,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl42/struc.xyz' 2026-02-10T11:43:18,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2cl43/struc.xyz' 2026-02-10T11:43:18,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f41/struc.xyz' 2026-02-10T11:43:18,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/c2h2f42/struc.xyz' 2026-02-10T11:43:18,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o71/struc.xyz' 2026-02-10T11:43:18,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h2s2o72/struc.xyz' 2026-02-10T11:43:18,762 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o71/struc.xyz' 2026-02-10T11:43:18,764 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/h4p2o72/struc.xyz' 2026-02-10T11:43:18,766 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his0/struc.xyz' 2026-02-10T11:43:18,768 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his1/struc.xyz' 2026-02-10T11:43:18,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his2/struc.xyz' 2026-02-10T11:43:18,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/his3/struc.xyz' 2026-02-10T11:43:18,772 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o41/struc.xyz' 2026-02-10T11:43:18,774 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/s4o42/struc.xyz' 2026-02-10T11:43:18,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar0/struc.xyz' 2026-02-10T11:43:18,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar2/struc.xyz' 2026-02-10T11:43:18,780 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar3/struc.xyz' 2026-02-10T11:43:18,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PArel/sugar4/struc.xyz' 2026-02-10T11:43:18,784 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/114/struc.xyz' 2026-02-10T11:43:18,785 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/215/struc.xyz' 2026-02-10T11:43:18,787 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/224/struc.xyz' 2026-02-10T11:43:18,789 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/300/struc.xyz' 2026-02-10T11:43:18,791 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/357/struc.xyz' 2026-02-10T11:43:18,793 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/366/struc.xyz' 2026-02-10T11:43:18,795 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/412/struc.xyz' 2026-02-10T11:43:18,797 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/444/struc.xyz' 2026-02-10T11:43:18,799 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/470/struc.xyz' 2026-02-10T11:43:18,801 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/691/struc.xyz' 2026-02-10T11:43:18,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/99/struc.xyz' 2026-02-10T11:43:18,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aL/struc.xyz' 2026-02-10T11:43:18,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_aR/struc.xyz' 2026-02-10T11:43:18,809 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_ab/struc.xyz' 2026-02-10T11:43:18,811 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_b/struc.xyz' 2026-02-10T11:43:18,813 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/GLY_pII/struc.xyz' 2026-02-10T11:43:18,815 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aL/struc.xyz' 2026-02-10T11:43:18,817 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_aR/struc.xyz' 2026-02-10T11:43:18,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_ab/struc.xyz' 2026-02-10T11:43:18,821 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_b/struc.xyz' 2026-02-10T11:43:18,823 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PCONF21/SER_pII/struc.xyz' 2026-02-10T11:43:18,826 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1/struc.xyz' 2026-02-10T11:43:18,828 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10/struc.xyz' 2026-02-10T11:43:18,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10a/struc.xyz' 2026-02-10T11:43:18,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/10b/struc.xyz' 2026-02-10T11:43:18,833 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11/struc.xyz' 2026-02-10T11:43:18,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11a/struc.xyz' 2026-02-10T11:43:18,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/11b/struc.xyz' 2026-02-10T11:43:18,838 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12/struc.xyz' 2026-02-10T11:43:18,840 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12a/struc.xyz' 2026-02-10T11:43:18,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/12b/struc.xyz' 2026-02-10T11:43:18,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13/struc.xyz' 2026-02-10T11:43:18,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13a/struc.xyz' 2026-02-10T11:43:18,848 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/13b/struc.xyz' 2026-02-10T11:43:18,850 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14/struc.xyz' 2026-02-10T11:43:18,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14a/struc.xyz' 2026-02-10T11:43:18,853 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/14b/struc.xyz' 2026-02-10T11:43:18,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15/struc.xyz' 2026-02-10T11:43:18,856 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15a/struc.xyz' 2026-02-10T11:43:18,858 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/15b/struc.xyz' 2026-02-10T11:43:18,859 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16/struc.xyz' 2026-02-10T11:43:18,861 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16a/struc.xyz' 2026-02-10T11:43:18,863 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/16b/struc.xyz' 2026-02-10T11:43:18,865 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17/struc.xyz' 2026-02-10T11:43:18,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17a/struc.xyz' 2026-02-10T11:43:18,868 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/17b/struc.xyz' 2026-02-10T11:43:18,870 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18/struc.xyz' 2026-02-10T11:43:18,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18a/struc.xyz' 2026-02-10T11:43:18,873 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/18b/struc.xyz' 2026-02-10T11:43:18,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19/struc.xyz' 2026-02-10T11:43:18,876 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19a/struc.xyz' 2026-02-10T11:43:18,877 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/19b/struc.xyz' 2026-02-10T11:43:18,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1a/struc.xyz' 2026-02-10T11:43:18,880 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/1b/struc.xyz' 2026-02-10T11:43:18,882 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2/struc.xyz' 2026-02-10T11:43:18,883 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20/struc.xyz' 2026-02-10T11:43:18,885 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20a/struc.xyz' 2026-02-10T11:43:18,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/20b/struc.xyz' 2026-02-10T11:43:18,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21/struc.xyz' 2026-02-10T11:43:18,890 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21a/struc.xyz' 2026-02-10T11:43:18,892 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/21b/struc.xyz' 2026-02-10T11:43:18,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22/struc.xyz' 2026-02-10T11:43:18,895 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22a/struc.xyz' 2026-02-10T11:43:18,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/22b/struc.xyz' 2026-02-10T11:43:18,899 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23/struc.xyz' 2026-02-10T11:43:18,901 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23a/struc.xyz' 2026-02-10T11:43:18,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/23b/struc.xyz' 2026-02-10T11:43:18,904 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2a/struc.xyz' 2026-02-10T11:43:18,905 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/2b/struc.xyz' 2026-02-10T11:43:18,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3/struc.xyz' 2026-02-10T11:43:18,908 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3a/struc.xyz' 2026-02-10T11:43:18,910 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/3b/struc.xyz' 2026-02-10T11:43:18,912 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4/struc.xyz' 2026-02-10T11:43:18,914 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4a/struc.xyz' 2026-02-10T11:43:18,916 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/4b/struc.xyz' 2026-02-10T11:43:18,918 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5/struc.xyz' 2026-02-10T11:43:18,920 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5a/struc.xyz' 2026-02-10T11:43:18,922 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/5b/struc.xyz' 2026-02-10T11:43:18,924 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6/struc.xyz' 2026-02-10T11:43:18,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6a/struc.xyz' 2026-02-10T11:43:18,927 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/6b/struc.xyz' 2026-02-10T11:43:18,929 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7/struc.xyz' 2026-02-10T11:43:18,931 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7a/struc.xyz' 2026-02-10T11:43:18,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/7b/struc.xyz' 2026-02-10T11:43:18,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8/struc.xyz' 2026-02-10T11:43:18,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8a/struc.xyz' 2026-02-10T11:43:18,937 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/8b/struc.xyz' 2026-02-10T11:43:18,939 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9/struc.xyz' 2026-02-10T11:43:18,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9a/struc.xyz' 2026-02-10T11:43:18,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PNICO23/9b/struc.xyz' 2026-02-10T11:43:18,944 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o/struc.xyz' 2026-02-10T11:43:18,946 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2/struc.xyz' 2026-02-10T11:43:18,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_2_ts/struc.xyz' 2026-02-10T11:43:18,949 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3/struc.xyz' 2026-02-10T11:43:18,951 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_3_ts/struc.xyz' 2026-02-10T11:43:18,953 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4/struc.xyz' 2026-02-10T11:43:18,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_4_ts/struc.xyz' 2026-02-10T11:43:18,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5/struc.xyz' 2026-02-10T11:43:18,957 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_5_ts/struc.xyz' 2026-02-10T11:43:18,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6/struc.xyz' 2026-02-10T11:43:18,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/h2o_6_ts/struc.xyz' 2026-02-10T11:43:18,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf/struc.xyz' 2026-02-10T11:43:18,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2/struc.xyz' 2026-02-10T11:43:18,966 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_2_ts/struc.xyz' 2026-02-10T11:43:18,968 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3/struc.xyz' 2026-02-10T11:43:18,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_3_ts/struc.xyz' 2026-02-10T11:43:18,971 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4/struc.xyz' 2026-02-10T11:43:18,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_4_ts/struc.xyz' 2026-02-10T11:43:18,974 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5/struc.xyz' 2026-02-10T11:43:18,975 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_5_ts/struc.xyz' 2026-02-10T11:43:18,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6/struc.xyz' 2026-02-10T11:43:18,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/hf_6_ts/struc.xyz' 2026-02-10T11:43:18,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3/struc.xyz' 2026-02-10T11:43:18,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2/struc.xyz' 2026-02-10T11:43:18,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_2_ts/struc.xyz' 2026-02-10T11:43:18,986 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3/struc.xyz' 2026-02-10T11:43:18,988 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_3_ts/struc.xyz' 2026-02-10T11:43:18,990 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4/struc.xyz' 2026-02-10T11:43:18,991 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/PX13/nh3_4_ts/struc.xyz' 2026-02-10T11:43:18,994 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10e/struc.xyz' 2026-02-10T11:43:18,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p1/struc.xyz' 2026-02-10T11:43:18,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/10p2/struc.xyz' 2026-02-10T11:43:19,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1e/struc.xyz' 2026-02-10T11:43:19,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p1/struc.xyz' 2026-02-10T11:43:19,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p2/struc.xyz' 2026-02-10T11:43:19,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/1p3/struc.xyz' 2026-02-10T11:43:19,008 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2e/struc.xyz' 2026-02-10T11:43:19,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p1/struc.xyz' 2026-02-10T11:43:19,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p2/struc.xyz' 2026-02-10T11:43:19,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/2p3/struc.xyz' 2026-02-10T11:43:19,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3e/struc.xyz' 2026-02-10T11:43:19,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int1/struc.xyz' 2026-02-10T11:43:19,019 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int2/struc.xyz' 2026-02-10T11:43:19,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3int3/struc.xyz' 2026-02-10T11:43:19,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p1/struc.xyz' 2026-02-10T11:43:19,023 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p2/struc.xyz' 2026-02-10T11:43:19,025 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/3p3/struc.xyz' 2026-02-10T11:43:19,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4e/struc.xyz' 2026-02-10T11:43:19,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/4p/struc.xyz' 2026-02-10T11:43:19,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5e/struc.xyz' 2026-02-10T11:43:19,032 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/5p/struc.xyz' 2026-02-10T11:43:19,033 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6e/struc.xyz' 2026-02-10T11:43:19,035 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6int/struc.xyz' 2026-02-10T11:43:19,037 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p1/struc.xyz' 2026-02-10T11:43:19,038 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/6p3/struc.xyz' 2026-02-10T11:43:19,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7e/struc.xyz' 2026-02-10T11:43:19,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p1/struc.xyz' 2026-02-10T11:43:19,044 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p2/struc.xyz' 2026-02-10T11:43:19,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p3/struc.xyz' 2026-02-10T11:43:19,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p4/struc.xyz' 2026-02-10T11:43:19,050 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p5/struc.xyz' 2026-02-10T11:43:19,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/7p6/struc.xyz' 2026-02-10T11:43:19,052 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8e/struc.xyz' 2026-02-10T11:43:19,054 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/8p1/struc.xyz' 2026-02-10T11:43:19,056 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9e/struc.xyz' 2026-02-10T11:43:19,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p1/struc.xyz' 2026-02-10T11:43:19,059 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/9p2/struc.xyz' 2026-02-10T11:43:19,060 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/ethylene/struc.xyz' 2026-02-10T11:43:19,062 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/me/struc.xyz' 2026-02-10T11:43:19,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RC21/pr/struc.xyz' 2026-02-10T11:43:19,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar/struc.xyz' 2026-02-10T11:43:19,067 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar2/struc.xyz' 2026-02-10T11:43:19,069 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar3/struc.xyz' 2026-02-10T11:43:19,071 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ar4/struc.xyz' 2026-02-10T11:43:19,073 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bz/struc.xyz' 2026-02-10T11:43:19,075 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzAr/struc.xyz' 2026-02-10T11:43:19,077 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/bzNe/struc.xyz' 2026-02-10T11:43:19,079 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2/struc.xyz' 2026-02-10T11:43:19,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ar/struc.xyz' 2026-02-10T11:43:19,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h2Ne/struc.xyz' 2026-02-10T11:43:19,084 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6/struc.xyz' 2026-02-10T11:43:19,086 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ar/struc.xyz' 2026-02-10T11:43:19,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/c2h6Ne/struc.xyz' 2026-02-10T11:43:19,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hf/struc.xyz' 2026-02-10T11:43:19,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfAr/struc.xyz' 2026-02-10T11:43:19,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfKr/struc.xyz' 2026-02-10T11:43:19,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/hfNe/struc.xyz' 2026-02-10T11:43:19,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr/struc.xyz' 2026-02-10T11:43:19,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr2/struc.xyz' 2026-02-10T11:43:19,100 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/kr3/struc.xyz' 2026-02-10T11:43:19,102 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne/struc.xyz' 2026-02-10T11:43:19,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne2/struc.xyz' 2026-02-10T11:43:19,105 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne3/struc.xyz' 2026-02-10T11:43:19,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne4/struc.xyz' 2026-02-10T11:43:19,108 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RG18/ne6/struc.xyz' 2026-02-10T11:43:19,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E1/struc.xyz' 2026-02-10T11:43:19,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E10/struc.xyz' 2026-02-10T11:43:19,116 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E11/struc.xyz' 2026-02-10T11:43:19,117 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E12/struc.xyz' 2026-02-10T11:43:19,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E13/struc.xyz' 2026-02-10T11:43:19,121 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E15/struc.xyz' 2026-02-10T11:43:19,123 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E16/struc.xyz' 2026-02-10T11:43:19,125 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E17/struc.xyz' 2026-02-10T11:43:19,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E18/struc.xyz' 2026-02-10T11:43:19,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E19/struc.xyz' 2026-02-10T11:43:19,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E2/struc.xyz' 2026-02-10T11:43:19,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E20/struc.xyz' 2026-02-10T11:43:19,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E21/struc.xyz' 2026-02-10T11:43:19,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E22/struc.xyz' 2026-02-10T11:43:19,139 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E23/struc.xyz' 2026-02-10T11:43:19,141 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E24/struc.xyz' 2026-02-10T11:43:19,143 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E25/struc.xyz' 2026-02-10T11:43:19,145 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E26/struc.xyz' 2026-02-10T11:43:19,147 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E27/struc.xyz' 2026-02-10T11:43:19,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E28/struc.xyz' 2026-02-10T11:43:19,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E29/struc.xyz' 2026-02-10T11:43:19,153 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E3/struc.xyz' 2026-02-10T11:43:19,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E30/struc.xyz' 2026-02-10T11:43:19,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E31/struc.xyz' 2026-02-10T11:43:19,158 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E32/struc.xyz' 2026-02-10T11:43:19,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E33/struc.xyz' 2026-02-10T11:43:19,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E34/struc.xyz' 2026-02-10T11:43:19,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E35/struc.xyz' 2026-02-10T11:43:19,165 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E36/struc.xyz' 2026-02-10T11:43:19,167 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E37/struc.xyz' 2026-02-10T11:43:19,169 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E38/struc.xyz' 2026-02-10T11:43:19,171 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E39/struc.xyz' 2026-02-10T11:43:19,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E4/struc.xyz' 2026-02-10T11:43:19,175 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E40/struc.xyz' 2026-02-10T11:43:19,177 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E41/struc.xyz' 2026-02-10T11:43:19,179 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E42/struc.xyz' 2026-02-10T11:43:19,181 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E43/struc.xyz' 2026-02-10T11:43:19,183 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E44/struc.xyz' 2026-02-10T11:43:19,185 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E45/struc.xyz' 2026-02-10T11:43:19,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E5/struc.xyz' 2026-02-10T11:43:19,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E6/struc.xyz' 2026-02-10T11:43:19,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E7/struc.xyz' 2026-02-10T11:43:19,193 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E8/struc.xyz' 2026-02-10T11:43:19,195 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/E9/struc.xyz' 2026-02-10T11:43:19,197 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P1/struc.xyz' 2026-02-10T11:43:19,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P10/struc.xyz' 2026-02-10T11:43:19,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P11/struc.xyz' 2026-02-10T11:43:19,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P12/struc.xyz' 2026-02-10T11:43:19,204 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P13/struc.xyz' 2026-02-10T11:43:19,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P15/struc.xyz' 2026-02-10T11:43:19,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P16/struc.xyz' 2026-02-10T11:43:19,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P17/struc.xyz' 2026-02-10T11:43:19,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P18/struc.xyz' 2026-02-10T11:43:19,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P19/struc.xyz' 2026-02-10T11:43:19,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P2/struc.xyz' 2026-02-10T11:43:19,216 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P20/struc.xyz' 2026-02-10T11:43:19,217 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P21/struc.xyz' 2026-02-10T11:43:19,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P22/struc.xyz' 2026-02-10T11:43:19,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P23/struc.xyz' 2026-02-10T11:43:19,223 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P24/struc.xyz' 2026-02-10T11:43:19,225 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P25/struc.xyz' 2026-02-10T11:43:19,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P26/struc.xyz' 2026-02-10T11:43:19,228 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P27/struc.xyz' 2026-02-10T11:43:19,230 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P28/struc.xyz' 2026-02-10T11:43:19,232 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P29/struc.xyz' 2026-02-10T11:43:19,234 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P3/struc.xyz' 2026-02-10T11:43:19,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P30/struc.xyz' 2026-02-10T11:43:19,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P31/struc.xyz' 2026-02-10T11:43:19,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P32/struc.xyz' 2026-02-10T11:43:19,241 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P33/struc.xyz' 2026-02-10T11:43:19,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P34/struc.xyz' 2026-02-10T11:43:19,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P35/struc.xyz' 2026-02-10T11:43:19,246 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P36/struc.xyz' 2026-02-10T11:43:19,248 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P37/struc.xyz' 2026-02-10T11:43:19,250 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P38/struc.xyz' 2026-02-10T11:43:19,252 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P39/struc.xyz' 2026-02-10T11:43:19,254 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P4/struc.xyz' 2026-02-10T11:43:19,256 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P40/struc.xyz' 2026-02-10T11:43:19,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P41/struc.xyz' 2026-02-10T11:43:19,259 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P42/struc.xyz' 2026-02-10T11:43:19,261 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P43/struc.xyz' 2026-02-10T11:43:19,263 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P44/struc.xyz' 2026-02-10T11:43:19,265 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P45/struc.xyz' 2026-02-10T11:43:19,267 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P5/struc.xyz' 2026-02-10T11:43:19,269 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P6/struc.xyz' 2026-02-10T11:43:19,271 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P7/struc.xyz' 2026-02-10T11:43:19,272 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P8/struc.xyz' 2026-02-10T11:43:19,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/RSE43/P9/struc.xyz' 2026-02-10T11:43:19,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01/struc.xyz' 2026-02-10T11:43:19,278 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/01a/struc.xyz' 2026-02-10T11:43:19,280 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02/struc.xyz' 2026-02-10T11:43:19,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02a/struc.xyz' 2026-02-10T11:43:19,284 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/02b/struc.xyz' 2026-02-10T11:43:19,286 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03/struc.xyz' 2026-02-10T11:43:19,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/03a/struc.xyz' 2026-02-10T11:43:19,289 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04/struc.xyz' 2026-02-10T11:43:19,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/04a/struc.xyz' 2026-02-10T11:43:19,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05/struc.xyz' 2026-02-10T11:43:19,294 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/05a/struc.xyz' 2026-02-10T11:43:19,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06/struc.xyz' 2026-02-10T11:43:19,298 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06a/struc.xyz' 2026-02-10T11:43:19,300 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/06b/struc.xyz' 2026-02-10T11:43:19,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07/struc.xyz' 2026-02-10T11:43:19,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07a/struc.xyz' 2026-02-10T11:43:19,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/07b/struc.xyz' 2026-02-10T11:43:19,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08/struc.xyz' 2026-02-10T11:43:19,308 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/08a/struc.xyz' 2026-02-10T11:43:19,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09/struc.xyz' 2026-02-10T11:43:19,312 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/09a/struc.xyz' 2026-02-10T11:43:19,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10/struc.xyz' 2026-02-10T11:43:19,315 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10a/struc.xyz' 2026-02-10T11:43:19,317 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/10b/struc.xyz' 2026-02-10T11:43:19,319 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11/struc.xyz' 2026-02-10T11:43:19,321 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/11a/struc.xyz' 2026-02-10T11:43:19,323 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12/struc.xyz' 2026-02-10T11:43:19,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/12a/struc.xyz' 2026-02-10T11:43:19,326 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13/struc.xyz' 2026-02-10T11:43:19,328 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/13a/struc.xyz' 2026-02-10T11:43:19,330 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14/struc.xyz' 2026-02-10T11:43:19,332 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14a/struc.xyz' 2026-02-10T11:43:19,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/14b/struc.xyz' 2026-02-10T11:43:19,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15/struc.xyz' 2026-02-10T11:43:19,339 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15a/struc.xyz' 2026-02-10T11:43:19,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/15b/struc.xyz' 2026-02-10T11:43:19,342 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16/struc.xyz' 2026-02-10T11:43:19,344 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16a/struc.xyz' 2026-02-10T11:43:19,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/16b/struc.xyz' 2026-02-10T11:43:19,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17/struc.xyz' 2026-02-10T11:43:19,350 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17a/struc.xyz' 2026-02-10T11:43:19,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/17b/struc.xyz' 2026-02-10T11:43:19,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18/struc.xyz' 2026-02-10T11:43:19,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18a/struc.xyz' 2026-02-10T11:43:19,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/18b/struc.xyz' 2026-02-10T11:43:19,358 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19/struc.xyz' 2026-02-10T11:43:19,360 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19a/struc.xyz' 2026-02-10T11:43:19,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/19b/struc.xyz' 2026-02-10T11:43:19,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20/struc.xyz' 2026-02-10T11:43:19,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20a/struc.xyz' 2026-02-10T11:43:19,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/20b/struc.xyz' 2026-02-10T11:43:19,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21/struc.xyz' 2026-02-10T11:43:19,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21a/struc.xyz' 2026-02-10T11:43:19,373 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/21b/struc.xyz' 2026-02-10T11:43:19,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22/struc.xyz' 2026-02-10T11:43:19,377 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22a/struc.xyz' 2026-02-10T11:43:19,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S22/22b/struc.xyz' 2026-02-10T11:43:19,384 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01/struc.xyz' 2026-02-10T11:43:19,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01A/struc.xyz' 2026-02-10T11:43:19,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/01B/struc.xyz' 2026-02-10T11:43:19,389 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02/struc.xyz' 2026-02-10T11:43:19,391 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02A/struc.xyz' 2026-02-10T11:43:19,393 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/02B/struc.xyz' 2026-02-10T11:43:19,395 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03/struc.xyz' 2026-02-10T11:43:19,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03A/struc.xyz' 2026-02-10T11:43:19,398 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/03B/struc.xyz' 2026-02-10T11:43:19,400 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04/struc.xyz' 2026-02-10T11:43:19,402 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04A/struc.xyz' 2026-02-10T11:43:19,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/04B/struc.xyz' 2026-02-10T11:43:19,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05/struc.xyz' 2026-02-10T11:43:19,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05A/struc.xyz' 2026-02-10T11:43:19,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/05B/struc.xyz' 2026-02-10T11:43:19,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06/struc.xyz' 2026-02-10T11:43:19,414 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06A/struc.xyz' 2026-02-10T11:43:19,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/06B/struc.xyz' 2026-02-10T11:43:19,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07/struc.xyz' 2026-02-10T11:43:19,420 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07A/struc.xyz' 2026-02-10T11:43:19,422 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/07B/struc.xyz' 2026-02-10T11:43:19,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08/struc.xyz' 2026-02-10T11:43:19,425 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08A/struc.xyz' 2026-02-10T11:43:19,427 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/08B/struc.xyz' 2026-02-10T11:43:19,440 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09/struc.xyz' 2026-02-10T11:43:19,442 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09A/struc.xyz' 2026-02-10T11:43:19,444 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/09B/struc.xyz' 2026-02-10T11:43:19,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10/struc.xyz' 2026-02-10T11:43:19,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10A/struc.xyz' 2026-02-10T11:43:19,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/10B/struc.xyz' 2026-02-10T11:43:19,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11/struc.xyz' 2026-02-10T11:43:19,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11A/struc.xyz' 2026-02-10T11:43:19,455 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/11B/struc.xyz' 2026-02-10T11:43:19,457 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12/struc.xyz' 2026-02-10T11:43:19,459 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12A/struc.xyz' 2026-02-10T11:43:19,461 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/12B/struc.xyz' 2026-02-10T11:43:19,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13/struc.xyz' 2026-02-10T11:43:19,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13A/struc.xyz' 2026-02-10T11:43:19,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/13B/struc.xyz' 2026-02-10T11:43:19,468 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14/struc.xyz' 2026-02-10T11:43:19,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14A/struc.xyz' 2026-02-10T11:43:19,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/14B/struc.xyz' 2026-02-10T11:43:19,473 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15/struc.xyz' 2026-02-10T11:43:19,475 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15A/struc.xyz' 2026-02-10T11:43:19,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/15B/struc.xyz' 2026-02-10T11:43:19,478 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16/struc.xyz' 2026-02-10T11:43:19,480 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16A/struc.xyz' 2026-02-10T11:43:19,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/16B/struc.xyz' 2026-02-10T11:43:19,483 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17/struc.xyz' 2026-02-10T11:43:19,485 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17A/struc.xyz' 2026-02-10T11:43:19,486 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/17B/struc.xyz' 2026-02-10T11:43:19,488 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18/struc.xyz' 2026-02-10T11:43:19,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18A/struc.xyz' 2026-02-10T11:43:19,491 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/18B/struc.xyz' 2026-02-10T11:43:19,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19/struc.xyz' 2026-02-10T11:43:19,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19A/struc.xyz' 2026-02-10T11:43:19,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/19B/struc.xyz' 2026-02-10T11:43:19,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20/struc.xyz' 2026-02-10T11:43:19,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20A/struc.xyz' 2026-02-10T11:43:19,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/20B/struc.xyz' 2026-02-10T11:43:19,503 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21/struc.xyz' 2026-02-10T11:43:19,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21A/struc.xyz' 2026-02-10T11:43:19,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/21B/struc.xyz' 2026-02-10T11:43:19,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22/struc.xyz' 2026-02-10T11:43:19,510 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22A/struc.xyz' 2026-02-10T11:43:19,512 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/22B/struc.xyz' 2026-02-10T11:43:19,513 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23/struc.xyz' 2026-02-10T11:43:19,515 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23A/struc.xyz' 2026-02-10T11:43:19,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/23B/struc.xyz' 2026-02-10T11:43:19,518 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24/struc.xyz' 2026-02-10T11:43:19,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24A/struc.xyz' 2026-02-10T11:43:19,521 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/24B/struc.xyz' 2026-02-10T11:43:19,523 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25/struc.xyz' 2026-02-10T11:43:19,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25A/struc.xyz' 2026-02-10T11:43:19,526 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/25B/struc.xyz' 2026-02-10T11:43:19,528 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26/struc.xyz' 2026-02-10T11:43:19,530 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26A/struc.xyz' 2026-02-10T11:43:19,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/26B/struc.xyz' 2026-02-10T11:43:19,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27/struc.xyz' 2026-02-10T11:43:19,536 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27A/struc.xyz' 2026-02-10T11:43:19,537 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/27B/struc.xyz' 2026-02-10T11:43:19,539 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28/struc.xyz' 2026-02-10T11:43:19,541 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28A/struc.xyz' 2026-02-10T11:43:19,543 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/28B/struc.xyz' 2026-02-10T11:43:19,545 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29/struc.xyz' 2026-02-10T11:43:19,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29A/struc.xyz' 2026-02-10T11:43:19,548 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/29B/struc.xyz' 2026-02-10T11:43:19,550 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30/struc.xyz' 2026-02-10T11:43:19,551 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30A/struc.xyz' 2026-02-10T11:43:19,553 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/30B/struc.xyz' 2026-02-10T11:43:19,555 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31/struc.xyz' 2026-02-10T11:43:19,556 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31A/struc.xyz' 2026-02-10T11:43:19,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/31B/struc.xyz' 2026-02-10T11:43:19,560 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32/struc.xyz' 2026-02-10T11:43:19,561 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32A/struc.xyz' 2026-02-10T11:43:19,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/32B/struc.xyz' 2026-02-10T11:43:19,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33/struc.xyz' 2026-02-10T11:43:19,566 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33A/struc.xyz' 2026-02-10T11:43:19,568 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/33B/struc.xyz' 2026-02-10T11:43:19,570 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34/struc.xyz' 2026-02-10T11:43:19,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34A/struc.xyz' 2026-02-10T11:43:19,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/34B/struc.xyz' 2026-02-10T11:43:19,575 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35/struc.xyz' 2026-02-10T11:43:19,577 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35A/struc.xyz' 2026-02-10T11:43:19,579 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/35B/struc.xyz' 2026-02-10T11:43:19,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36/struc.xyz' 2026-02-10T11:43:19,583 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36A/struc.xyz' 2026-02-10T11:43:19,584 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/36B/struc.xyz' 2026-02-10T11:43:19,586 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37/struc.xyz' 2026-02-10T11:43:19,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37A/struc.xyz' 2026-02-10T11:43:19,591 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/37B/struc.xyz' 2026-02-10T11:43:19,593 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38/struc.xyz' 2026-02-10T11:43:19,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38A/struc.xyz' 2026-02-10T11:43:19,597 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/38B/struc.xyz' 2026-02-10T11:43:19,599 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39/struc.xyz' 2026-02-10T11:43:19,601 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39A/struc.xyz' 2026-02-10T11:43:19,603 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/39B/struc.xyz' 2026-02-10T11:43:19,605 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40/struc.xyz' 2026-02-10T11:43:19,607 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40A/struc.xyz' 2026-02-10T11:43:19,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/40B/struc.xyz' 2026-02-10T11:43:19,611 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41/struc.xyz' 2026-02-10T11:43:19,613 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41A/struc.xyz' 2026-02-10T11:43:19,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/41B/struc.xyz' 2026-02-10T11:43:19,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42/struc.xyz' 2026-02-10T11:43:19,619 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42A/struc.xyz' 2026-02-10T11:43:19,621 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/42B/struc.xyz' 2026-02-10T11:43:19,624 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43/struc.xyz' 2026-02-10T11:43:19,626 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43A/struc.xyz' 2026-02-10T11:43:19,628 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/43B/struc.xyz' 2026-02-10T11:43:19,630 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44/struc.xyz' 2026-02-10T11:43:19,632 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44A/struc.xyz' 2026-02-10T11:43:19,634 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/44B/struc.xyz' 2026-02-10T11:43:19,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45/struc.xyz' 2026-02-10T11:43:19,637 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45A/struc.xyz' 2026-02-10T11:43:19,639 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/45B/struc.xyz' 2026-02-10T11:43:19,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46/struc.xyz' 2026-02-10T11:43:19,643 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46A/struc.xyz' 2026-02-10T11:43:19,645 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/46B/struc.xyz' 2026-02-10T11:43:19,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47/struc.xyz' 2026-02-10T11:43:19,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47A/struc.xyz' 2026-02-10T11:43:19,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/47B/struc.xyz' 2026-02-10T11:43:19,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48/struc.xyz' 2026-02-10T11:43:19,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48A/struc.xyz' 2026-02-10T11:43:19,656 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/48B/struc.xyz' 2026-02-10T11:43:19,658 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49/struc.xyz' 2026-02-10T11:43:19,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49A/struc.xyz' 2026-02-10T11:43:19,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/49B/struc.xyz' 2026-02-10T11:43:19,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50/struc.xyz' 2026-02-10T11:43:19,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50A/struc.xyz' 2026-02-10T11:43:19,668 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/50B/struc.xyz' 2026-02-10T11:43:19,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51/struc.xyz' 2026-02-10T11:43:19,671 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51A/struc.xyz' 2026-02-10T11:43:19,674 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/51B/struc.xyz' 2026-02-10T11:43:19,676 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52/struc.xyz' 2026-02-10T11:43:19,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52A/struc.xyz' 2026-02-10T11:43:19,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/52B/struc.xyz' 2026-02-10T11:43:19,683 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53/struc.xyz' 2026-02-10T11:43:19,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53A/struc.xyz' 2026-02-10T11:43:19,688 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/53B/struc.xyz' 2026-02-10T11:43:19,690 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54/struc.xyz' 2026-02-10T11:43:19,692 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54A/struc.xyz' 2026-02-10T11:43:19,694 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/54B/struc.xyz' 2026-02-10T11:43:19,697 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55/struc.xyz' 2026-02-10T11:43:19,699 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55A/struc.xyz' 2026-02-10T11:43:19,702 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/55B/struc.xyz' 2026-02-10T11:43:19,704 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56/struc.xyz' 2026-02-10T11:43:19,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56A/struc.xyz' 2026-02-10T11:43:19,709 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/56B/struc.xyz' 2026-02-10T11:43:19,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57/struc.xyz' 2026-02-10T11:43:19,714 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57A/struc.xyz' 2026-02-10T11:43:19,716 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/57B/struc.xyz' 2026-02-10T11:43:19,718 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58/struc.xyz' 2026-02-10T11:43:19,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58A/struc.xyz' 2026-02-10T11:43:19,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/58B/struc.xyz' 2026-02-10T11:43:19,724 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59/struc.xyz' 2026-02-10T11:43:19,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59A/struc.xyz' 2026-02-10T11:43:19,728 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/59B/struc.xyz' 2026-02-10T11:43:19,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60/struc.xyz' 2026-02-10T11:43:19,733 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60A/struc.xyz' 2026-02-10T11:43:19,735 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/60B/struc.xyz' 2026-02-10T11:43:19,738 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61/struc.xyz' 2026-02-10T11:43:19,740 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61A/struc.xyz' 2026-02-10T11:43:19,743 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/61B/struc.xyz' 2026-02-10T11:43:19,745 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62/struc.xyz' 2026-02-10T11:43:19,747 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62A/struc.xyz' 2026-02-10T11:43:19,749 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/62B/struc.xyz' 2026-02-10T11:43:19,751 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63/struc.xyz' 2026-02-10T11:43:19,753 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63A/struc.xyz' 2026-02-10T11:43:19,755 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/63B/struc.xyz' 2026-02-10T11:43:19,757 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64/struc.xyz' 2026-02-10T11:43:19,759 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64A/struc.xyz' 2026-02-10T11:43:19,761 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/64B/struc.xyz' 2026-02-10T11:43:19,763 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65/struc.xyz' 2026-02-10T11:43:19,765 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65A/struc.xyz' 2026-02-10T11:43:19,767 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/65B/struc.xyz' 2026-02-10T11:43:19,769 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66/struc.xyz' 2026-02-10T11:43:19,771 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66A/struc.xyz' 2026-02-10T11:43:19,773 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/S66/66B/struc.xyz' 2026-02-10T11:43:19,776 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C1/struc.xyz' 2026-02-10T11:43:19,778 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C10/struc.xyz' 2026-02-10T11:43:19,781 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C11/struc.xyz' 2026-02-10T11:43:19,783 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C12/struc.xyz' 2026-02-10T11:43:19,785 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C13/struc.xyz' 2026-02-10T11:43:19,787 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C14/struc.xyz' 2026-02-10T11:43:19,790 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C15/struc.xyz' 2026-02-10T11:43:19,792 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C2/struc.xyz' 2026-02-10T11:43:19,794 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C3/struc.xyz' 2026-02-10T11:43:19,796 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C4/struc.xyz' 2026-02-10T11:43:19,798 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C5/struc.xyz' 2026-02-10T11:43:19,800 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C6/struc.xyz' 2026-02-10T11:43:19,803 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C7/struc.xyz' 2026-02-10T11:43:19,805 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C8/struc.xyz' 2026-02-10T11:43:19,807 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/C9/struc.xyz' 2026-02-10T11:43:19,809 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G1/struc.xyz' 2026-02-10T11:43:19,812 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G2/struc.xyz' 2026-02-10T11:43:19,814 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G3/struc.xyz' 2026-02-10T11:43:19,816 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SCONF/G4/struc.xyz' 2026-02-10T11:43:19,819 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h/struc.xyz' 2026-02-10T11:43:19,822 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.0/struc.xyz' 2026-02-10T11:43:19,824 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.25/struc.xyz' 2026-02-10T11:43:19,826 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.5/struc.xyz' 2026-02-10T11:43:19,827 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2+_1.75/struc.xyz' 2026-02-10T11:43:19,829 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o/struc.xyz' 2026-02-10T11:43:19,830 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o+/struc.xyz' 2026-02-10T11:43:19,832 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.0/struc.xyz' 2026-02-10T11:43:19,834 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.25/struc.xyz' 2026-02-10T11:43:19,835 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.5/struc.xyz' 2026-02-10T11:43:19,837 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/h2o2+_1.75/struc.xyz' 2026-02-10T11:43:19,839 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he/struc.xyz' 2026-02-10T11:43:19,840 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he+/struc.xyz' 2026-02-10T11:43:19,842 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.0/struc.xyz' 2026-02-10T11:43:19,844 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.25/struc.xyz' 2026-02-10T11:43:19,846 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.5/struc.xyz' 2026-02-10T11:43:19,847 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/he2+_1.75/struc.xyz' 2026-02-10T11:43:19,849 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3/struc.xyz' 2026-02-10T11:43:19,851 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh3+/struc.xyz' 2026-02-10T11:43:19,852 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.0/struc.xyz' 2026-02-10T11:43:19,854 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.25/struc.xyz' 2026-02-10T11:43:19,855 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.5/struc.xyz' 2026-02-10T11:43:19,857 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SIE4x4/nh32+_1.75/struc.xyz' 2026-02-10T11:43:19,862 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1/struc.xyz' 2026-02-10T11:43:19,864 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13/struc.xyz' 2026-02-10T11:43:19,866 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13A/struc.xyz' 2026-02-10T11:43:19,867 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/13B/struc.xyz' 2026-02-10T11:43:19,869 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/18/struc.xyz' 2026-02-10T11:43:19,871 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1A/struc.xyz' 2026-02-10T11:43:19,872 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/1B/struc.xyz' 2026-02-10T11:43:19,874 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2/struc.xyz' 2026-02-10T11:43:19,876 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/20/struc.xyz' 2026-02-10T11:43:19,878 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24/struc.xyz' 2026-02-10T11:43:19,879 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/24A/struc.xyz' 2026-02-10T11:43:19,881 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/25/struc.xyz' 2026-02-10T11:43:19,883 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2A/struc.xyz' 2026-02-10T11:43:19,884 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/2B/struc.xyz' 2026-02-10T11:43:19,886 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/34/struc.xyz' 2026-02-10T11:43:19,887 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/39/struc.xyz' 2026-02-10T11:43:19,889 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4/struc.xyz' 2026-02-10T11:43:19,890 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/40/struc.xyz' 2026-02-10T11:43:19,892 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/43/struc.xyz' 2026-02-10T11:43:19,894 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/45/struc.xyz' 2026-02-10T11:43:19,897 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/47/struc.xyz' 2026-02-10T11:43:19,898 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/48/struc.xyz' 2026-02-10T11:43:19,900 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4A/struc.xyz' 2026-02-10T11:43:19,902 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/4B/struc.xyz' 2026-02-10T11:43:19,903 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5/struc.xyz' 2026-02-10T11:43:19,905 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/58/struc.xyz' 2026-02-10T11:43:19,907 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/59/struc.xyz' 2026-02-10T11:43:19,909 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5A/struc.xyz' 2026-02-10T11:43:19,911 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/5B/struc.xyz' 2026-02-10T11:43:19,913 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6/struc.xyz' 2026-02-10T11:43:19,915 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/68/struc.xyz' 2026-02-10T11:43:19,917 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6A/struc.xyz' 2026-02-10T11:43:19,919 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/6B/struc.xyz' 2026-02-10T11:43:19,921 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/73/struc.xyz' 2026-02-10T11:43:19,923 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8/struc.xyz' 2026-02-10T11:43:19,925 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8A/struc.xyz' 2026-02-10T11:43:19,928 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/8B/struc.xyz' 2026-02-10T11:43:19,930 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9a/struc.xyz' 2026-02-10T11:43:19,932 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/9b/struc.xyz' 2026-02-10T11:43:19,934 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr/struc.xyz' 2026-02-10T11:43:19,936 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/BrBr_NCH/struc.xyz' 2026-02-10T11:43:19,938 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/CH4/struc.xyz' 2026-02-10T11:43:19,940 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/E20/struc.xyz' 2026-02-10T11:43:19,942 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12/struc.xyz' 2026-02-10T11:43:19,944 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_12n/struc.xyz' 2026-02-10T11:43:19,946 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14/struc.xyz' 2026-02-10T11:43:19,948 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_14n/struc.xyz' 2026-02-10T11:43:19,950 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20/struc.xyz' 2026-02-10T11:43:19,952 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_20n/struc.xyz' 2026-02-10T11:43:19,954 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21/struc.xyz' 2026-02-10T11:43:19,956 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_21n/struc.xyz' 2026-02-10T11:43:19,958 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25/struc.xyz' 2026-02-10T11:43:19,959 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_25n/struc.xyz' 2026-02-10T11:43:19,961 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s/struc.xyz' 2026-02-10T11:43:19,963 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/EA_s-/struc.xyz' 2026-02-10T11:43:19,965 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O/struc.xyz' 2026-02-10T11:43:19,967 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2O_TS/struc.xyz' 2026-02-10T11:43:19,969 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S/struc.xyz' 2026-02-10T11:43:19,972 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/H2S_TS/struc.xyz' 2026-02-10T11:43:19,973 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_64/struc.xyz' 2026-02-10T11:43:19,976 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_67/struc.xyz' 2026-02-10T11:43:19,977 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_71/struc.xyz' 2026-02-10T11:43:19,979 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_74/struc.xyz' 2026-02-10T11:43:19,981 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_76/struc.xyz' 2026-02-10T11:43:19,983 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_78/struc.xyz' 2026-02-10T11:43:19,985 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/IP_80/struc.xyz' 2026-02-10T11:43:19,987 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH/struc.xyz' 2026-02-10T11:43:19,989 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FBr/struc.xyz' 2026-02-10T11:43:19,992 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NCH_FCl/struc.xyz' 2026-02-10T11:43:19,994 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/NH2/struc.xyz' 2026-02-10T11:43:19,996 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHm/struc.xyz' 2026-02-10T11:43:19,998 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/OHmH2O/struc.xyz' 2026-02-10T11:43:20,000 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P1/struc.xyz' 2026-02-10T11:43:20,002 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/P20/struc.xyz' 2026-02-10T11:43:20,004 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH/struc.xyz' 2026-02-10T11:43:20,006 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/PCH_FCl/struc.xyz' 2026-02-10T11:43:20,007 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT02/struc.xyz' 2026-02-10T11:43:20,009 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT10/struc.xyz' 2026-02-10T11:43:20,011 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/RKT17/struc.xyz' 2026-02-10T11:43:20,013 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/al/struc.xyz' 2026-02-10T11:43:20,015 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl/struc.xyz' 2026-02-10T11:43:20,017 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/alcl3/struc.xyz' 2026-02-10T11:43:20,020 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar/struc.xyz' 2026-02-10T11:43:20,022 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar2/struc.xyz' 2026-02-10T11:43:20,024 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar3/struc.xyz' 2026-02-10T11:43:20,027 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ar4/struc.xyz' 2026-02-10T11:43:20,028 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b/struc.xyz' 2026-02-10T11:43:20,030 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/b2/struc.xyz' 2026-02-10T11:43:20,031 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be/struc.xyz' 2026-02-10T11:43:20,033 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be+/struc.xyz' 2026-02-10T11:43:20,034 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/be_2+/struc.xyz' 2026-02-10T11:43:20,036 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c/struc.xyz' 2026-02-10T11:43:20,038 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2/struc.xyz' 2026-02-10T11:43:20,040 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ar/struc.xyz' 2026-02-10T11:43:20,042 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2Ne/struc.xyz' 2026-02-10T11:43:20,043 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/c2h2p/struc.xyz' 2026-02-10T11:43:20,045 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ca/struc.xyz' 2026-02-10T11:43:20,046 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cao/struc.xyz' 2026-02-10T11:43:20,048 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ccl2/struc.xyz' 2026-02-10T11:43:20,049 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cf2/struc.xyz' 2026-02-10T11:43:20,051 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2s/struc.xyz' 2026-02-10T11:43:20,053 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch2sp/struc.xyz' 2026-02-10T11:43:20,055 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3/struc.xyz' 2026-02-10T11:43:20,057 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ch3f/struc.xyz' 2026-02-10T11:43:20,059 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl/struc.xyz' 2026-02-10T11:43:20,061 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/cl2/struc.xyz' 2026-02-10T11:43:20,063 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/clf/struc.xyz' 2026-02-10T11:43:20,065 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f/struc.xyz' 2026-02-10T11:43:20,066 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/f+/struc.xyz' 2026-02-10T11:43:20,068 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/formic/struc.xyz' 2026-02-10T11:43:20,070 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h/struc.xyz' 2026-02-10T11:43:20,071 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2/struc.xyz' 2026-02-10T11:43:20,072 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.25/struc.xyz' 2026-02-10T11:43:20,074 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.5/struc.xyz' 2026-02-10T11:43:20,076 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2+_1.75/struc.xyz' 2026-02-10T11:43:20,078 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2/struc.xyz' 2026-02-10T11:43:20,080 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_cis/struc.xyz' 2026-02-10T11:43:20,081 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2o2_trans/struc.xyz' 2026-02-10T11:43:20,083 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2p/struc.xyz' 2026-02-10T11:43:20,085 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s/struc.xyz' 2026-02-10T11:43:20,087 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2/struc.xyz' 2026-02-10T11:43:20,089 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s2_cis/struc.xyz' 2026-02-10T11:43:20,091 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2s_2+/struc.xyz' 2026-02-10T11:43:20,093 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/h2se2/struc.xyz' 2026-02-10T11:43:20,094 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcl/struc.xyz' 2026-02-10T11:43:20,096 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hclp/struc.xyz' 2026-02-10T11:43:20,098 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcn/struc.xyz' 2026-02-10T11:43:20,100 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcnts/struc.xyz' 2026-02-10T11:43:20,102 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hco/struc.xyz' 2026-02-10T11:43:20,104 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hcots/struc.xyz' 2026-02-10T11:43:20,106 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he/struc.xyz' 2026-02-10T11:43:20,107 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/he+/struc.xyz' 2026-02-10T11:43:20,109 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hf/struc.xyz' 2026-02-10T11:43:20,110 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfKr/struc.xyz' 2026-02-10T11:43:20,112 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfNe/struc.xyz' 2026-02-10T11:43:20,114 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hfhts/struc.xyz' 2026-02-10T11:43:20,115 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2/struc.xyz' 2026-02-10T11:43:20,117 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hn2ts/struc.xyz' 2026-02-10T11:43:20,119 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnc/struc.xyz' 2026-02-10T11:43:20,121 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hnnn/struc.xyz' 2026-02-10T11:43:20,122 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/hoo/struc.xyz' 2026-02-10T11:43:20,124 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/k/struc.xyz' 2026-02-10T11:43:20,126 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kf/struc.xyz' 2026-02-10T11:43:20,127 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr/struc.xyz' 2026-02-10T11:43:20,129 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr2/struc.xyz' 2026-02-10T11:43:20,131 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/kr3/struc.xyz' 2026-02-10T11:43:20,133 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg/struc.xyz' 2026-02-10T11:43:20,135 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mg+/struc.xyz' 2026-02-10T11:43:20,137 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/mgs/struc.xyz' 2026-02-10T11:43:20,138 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne/struc.xyz' 2026-02-10T11:43:20,140 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne3/struc.xyz' 2026-02-10T11:43:20,142 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ne4/struc.xyz' 2026-02-10T11:43:20,144 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_ecl/struc.xyz' 2026-02-10T11:43:20,146 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh2oh_st2/struc.xyz' 2026-02-10T11:43:20,148 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3/struc.xyz' 2026-02-10T11:43:20,149 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/nh3p/struc.xyz' 2026-02-10T11:43:20,151 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/o/struc.xyz' 2026-02-10T11:43:20,152 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oclo/struc.xyz' 2026-02-10T11:43:20,154 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/oh/struc.xyz' 2026-02-10T11:43:20,155 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/reac1/struc.xyz' 2026-02-10T11:43:20,157 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/s/struc.xyz' 2026-02-10T11:43:20,159 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/seh/struc.xyz' 2026-02-10T11:43:20,160 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sh/struc.xyz' 2026-02-10T11:43:20,162 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si/struc.xyz' 2026-02-10T11:43:20,164 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/si+/struc.xyz' 2026-02-10T11:43:20,166 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/sif4/struc.xyz' 2026-02-10T11:43:20,168 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2/struc.xyz' 2026-02-10T11:43:20,170 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hcl/struc.xyz' 2026-02-10T11:43:20,172 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/teh2_hi/struc.xyz' 2026-02-10T11:43:20,173 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/SLIM05/ts1/struc.xyz' 2026-02-10T11:43:20,176 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10a/struc.xyz' 2026-02-10T11:43:20,178 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/10b/struc.xyz' 2026-02-10T11:43:20,180 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1a/struc.xyz' 2026-02-10T11:43:20,182 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/1b/struc.xyz' 2026-02-10T11:43:20,184 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2a/struc.xyz' 2026-02-10T11:43:20,186 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/2b/struc.xyz' 2026-02-10T11:43:20,187 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3a/struc.xyz' 2026-02-10T11:43:20,189 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3b/struc.xyz' 2026-02-10T11:43:20,191 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3c/struc.xyz' 2026-02-10T11:43:20,194 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/3d/struc.xyz' 2026-02-10T11:43:20,196 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4a/struc.xyz' 2026-02-10T11:43:20,198 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/4b/struc.xyz' 2026-02-10T11:43:20,200 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5a/struc.xyz' 2026-02-10T11:43:20,202 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5b/struc.xyz' 2026-02-10T11:43:20,203 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/5c/struc.xyz' 2026-02-10T11:43:20,205 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6a/struc.xyz' 2026-02-10T11:43:20,207 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6b/struc.xyz' 2026-02-10T11:43:20,209 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6c/struc.xyz' 2026-02-10T11:43:20,211 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/6d/struc.xyz' 2026-02-10T11:43:20,212 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7a/struc.xyz' 2026-02-10T11:43:20,214 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/7b/struc.xyz' 2026-02-10T11:43:20,215 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8a/struc.xyz' 2026-02-10T11:43:20,217 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/8b/struc.xyz' 2026-02-10T11:43:20,219 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9a/struc.xyz' 2026-02-10T11:43:20,221 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/TAUT15/9b/struc.xyz' 2026-02-10T11:43:20,224 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0a/struc.xyz' 2026-02-10T11:43:20,226 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/0b/struc.xyz' 2026-02-10T11:43:20,229 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1a/struc.xyz' 2026-02-10T11:43:20,231 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1b/struc.xyz' 2026-02-10T11:43:20,233 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1c/struc.xyz' 2026-02-10T11:43:20,235 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1e/struc.xyz' 2026-02-10T11:43:20,237 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1f/struc.xyz' 2026-02-10T11:43:20,239 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1g/struc.xyz' 2026-02-10T11:43:20,242 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1m/struc.xyz' 2026-02-10T11:43:20,244 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/1p/struc.xyz' 2026-02-10T11:43:20,248 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2a/struc.xyz' 2026-02-10T11:43:20,251 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2h/struc.xyz' 2026-02-10T11:43:20,253 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/2p/struc.xyz' 2026-02-10T11:43:20,255 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3a/struc.xyz' 2026-02-10T11:43:20,257 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3b/struc.xyz' 2026-02-10T11:43:20,260 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/3d/struc.xyz' 2026-02-10T11:43:20,262 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/4b/struc.xyz' 2026-02-10T11:43:20,264 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/5z/struc.xyz' 2026-02-10T11:43:20,266 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/6p/struc.xyz' 2026-02-10T11:43:20,268 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7a/struc.xyz' 2026-02-10T11:43:20,270 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/7p/struc.xyz' 2026-02-10T11:43:20,273 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/8d/struc.xyz' 2026-02-10T11:43:20,274 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/9a/struc.xyz' 2026-02-10T11:43:20,276 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/UPU23/aa/struc.xyz' 2026-02-10T11:43:20,282 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetaldehyde/struc.xyz' 2026-02-10T11:43:20,283 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/acetic/struc.xyz' 2026-02-10T11:43:20,285 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/al/struc.xyz' 2026-02-10T11:43:20,287 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl/struc.xyz' 2026-02-10T11:43:20,289 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alcl3/struc.xyz' 2026-02-10T11:43:20,291 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf/struc.xyz' 2026-02-10T11:43:20,292 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alf3/struc.xyz' 2026-02-10T11:43:20,294 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh/struc.xyz' 2026-02-10T11:43:20,296 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/alh3/struc.xyz' 2026-02-10T11:43:20,297 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/allene/struc.xyz' 2026-02-10T11:43:20,299 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b/struc.xyz' 2026-02-10T11:43:20,301 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2/struc.xyz' 2026-02-10T11:43:20,303 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/b2h6/struc.xyz' 2026-02-10T11:43:20,304 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be/struc.xyz' 2026-02-10T11:43:20,306 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/be2/struc.xyz' 2026-02-10T11:43:20,307 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/becl2/struc.xyz' 2026-02-10T11:43:20,309 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bef2/struc.xyz' 2026-02-10T11:43:20,310 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf/struc.xyz' 2026-02-10T11:43:20,314 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bf3/struc.xyz' 2026-02-10T11:43:20,316 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh/struc.xyz' 2026-02-10T11:43:20,318 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bh3/struc.xyz' 2026-02-10T11:43:20,320 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bhf2/struc.xyz' 2026-02-10T11:43:20,322 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn/struc.xyz' 2026-02-10T11:43:20,324 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/bn3pi/struc.xyz' 2026-02-10T11:43:20,325 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c/struc.xyz' 2026-02-10T11:43:20,327 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hcoh/struc.xyz' 2026-02-10T11:43:20,329 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hono/struc.xyz' 2026-02-10T11:43:20,331 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-hooo/struc.xyz' 2026-02-10T11:43:20,332 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c-n2h2/struc.xyz' 2026-02-10T11:43:20,334 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2/struc.xyz' 2026-02-10T11:43:20,336 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h2/struc.xyz' 2026-02-10T11:43:20,338 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h3f/struc.xyz' 2026-02-10T11:43:20,340 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h4/struc.xyz' 2026-02-10T11:43:20,341 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h5f/struc.xyz' 2026-02-10T11:43:20,343 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/c2h6/struc.xyz' 2026-02-10T11:43:20,345 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cch/struc.xyz' 2026-02-10T11:43:20,346 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ccl2/struc.xyz' 2026-02-10T11:43:20,348 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf/struc.xyz' 2026-02-10T11:43:20,349 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf2/struc.xyz' 2026-02-10T11:43:20,351 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cf4/struc.xyz' 2026-02-10T11:43:20,353 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch/struc.xyz' 2026-02-10T11:43:20,355 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-sing/struc.xyz' 2026-02-10T11:43:20,357 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2-trip/struc.xyz' 2026-02-10T11:43:20,359 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2c/struc.xyz' 2026-02-10T11:43:20,361 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2ch/struc.xyz' 2026-02-10T11:43:20,363 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2f2/struc.xyz' 2026-02-10T11:43:20,365 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh/struc.xyz' 2026-02-10T11:43:20,367 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch2nh2/struc.xyz' 2026-02-10T11:43:20,369 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3/struc.xyz' 2026-02-10T11:43:20,371 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3f/struc.xyz' 2026-02-10T11:43:20,373 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh/struc.xyz' 2026-02-10T11:43:20,375 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch3nh2/struc.xyz' 2026-02-10T11:43:20,376 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ch4/struc.xyz' 2026-02-10T11:43:20,378 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl/struc.xyz' 2026-02-10T11:43:20,380 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2/struc.xyz' 2026-02-10T11:43:20,381 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cl2o/struc.xyz' 2026-02-10T11:43:20,383 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clcn/struc.xyz' 2026-02-10T11:43:20,385 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clf/struc.xyz' 2026-02-10T11:43:20,387 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/clo/struc.xyz' 2026-02-10T11:43:20,388 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cloo/struc.xyz' 2026-02-10T11:43:20,390 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cn/struc.xyz' 2026-02-10T11:43:20,392 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co/struc.xyz' 2026-02-10T11:43:20,394 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/co2/struc.xyz' 2026-02-10T11:43:20,396 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs/struc.xyz' 2026-02-10T11:43:20,397 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/cs2/struc.xyz' 2026-02-10T11:43:20,399 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/dioxirane/struc.xyz' 2026-02-10T11:43:20,401 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ethanol/struc.xyz' 2026-02-10T11:43:20,403 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f/struc.xyz' 2026-02-10T11:43:20,405 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2/struc.xyz' 2026-02-10T11:43:20,406 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2co/struc.xyz' 2026-02-10T11:43:20,408 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/f2o/struc.xyz' 2026-02-10T11:43:20,410 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fccf/struc.xyz' 2026-02-10T11:43:20,412 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/fo2/struc.xyz' 2026-02-10T11:43:20,414 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/foof/struc.xyz' 2026-02-10T11:43:20,416 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/formic/struc.xyz' 2026-02-10T11:43:20,418 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/glyoxal/struc.xyz' 2026-02-10T11:43:20,419 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h/struc.xyz' 2026-02-10T11:43:20,421 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2/struc.xyz' 2026-02-10T11:43:20,423 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2cn/struc.xyz' 2026-02-10T11:43:20,424 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2co/struc.xyz' 2026-02-10T11:43:20,426 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2o/struc.xyz' 2026-02-10T11:43:20,428 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/h2s/struc.xyz' 2026-02-10T11:43:20,429 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hccf/struc.xyz' 2026-02-10T11:43:20,431 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcl/struc.xyz' 2026-02-10T11:43:20,433 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcn/struc.xyz' 2026-02-10T11:43:20,435 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcnh/struc.xyz' 2026-02-10T11:43:20,437 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcno/struc.xyz' 2026-02-10T11:43:20,439 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hco/struc.xyz' 2026-02-10T11:43:20,441 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hcof/struc.xyz' 2026-02-10T11:43:20,443 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hf/struc.xyz' 2026-02-10T11:43:20,445 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnc/struc.xyz' 2026-02-10T11:43:20,446 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnco/struc.xyz' 2026-02-10T11:43:20,448 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hnnn/struc.xyz' 2026-02-10T11:43:20,450 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hno/struc.xyz' 2026-02-10T11:43:20,452 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocl/struc.xyz' 2026-02-10T11:43:20,454 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hocn/struc.xyz' 2026-02-10T11:43:20,456 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hof/struc.xyz' 2026-02-10T11:43:20,458 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/honc/struc.xyz' 2026-02-10T11:43:20,460 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hoo/struc.xyz' 2026-02-10T11:43:20,462 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hooh/struc.xyz' 2026-02-10T11:43:20,464 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/hs/struc.xyz' 2026-02-10T11:43:20,466 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ketene/struc.xyz' 2026-02-10T11:43:20,469 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/methanol/struc.xyz' 2026-02-10T11:43:20,471 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n/struc.xyz' 2026-02-10T11:43:20,474 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2/struc.xyz' 2026-02-10T11:43:20,476 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h/struc.xyz' 2026-02-10T11:43:20,478 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2h4/struc.xyz' 2026-02-10T11:43:20,481 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/n2o/struc.xyz' 2026-02-10T11:43:20,484 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nccn/struc.xyz' 2026-02-10T11:43:20,487 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh/struc.xyz' 2026-02-10T11:43:20,490 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2/struc.xyz' 2026-02-10T11:43:20,493 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh2cl/struc.xyz' 2026-02-10T11:43:20,495 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/nh3/struc.xyz' 2026-02-10T11:43:20,496 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no/struc.xyz' 2026-02-10T11:43:20,498 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/no2/struc.xyz' 2026-02-10T11:43:20,500 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o/struc.xyz' 2026-02-10T11:43:20,502 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o2/struc.xyz' 2026-02-10T11:43:20,504 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/o3/struc.xyz' 2026-02-10T11:43:20,505 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oclo/struc.xyz' 2026-02-10T11:43:20,507 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ocs/struc.xyz' 2026-02-10T11:43:20,509 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/of/struc.xyz' 2026-02-10T11:43:20,511 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oh/struc.xyz' 2026-02-10T11:43:20,513 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirane/struc.xyz' 2026-02-10T11:43:20,514 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/oxirene/struc.xyz' 2026-02-10T11:43:20,516 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p/struc.xyz' 2026-02-10T11:43:20,518 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p2/struc.xyz' 2026-02-10T11:43:20,520 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/p4/struc.xyz' 2026-02-10T11:43:20,522 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ph3/struc.xyz' 2026-02-10T11:43:20,524 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propane/struc.xyz' 2026-02-10T11:43:20,525 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propene/struc.xyz' 2026-02-10T11:43:20,527 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/propyne/struc.xyz' 2026-02-10T11:43:20,529 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s/struc.xyz' 2026-02-10T11:43:20,530 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2/struc.xyz' 2026-02-10T11:43:20,532 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s2o/struc.xyz' 2026-02-10T11:43:20,534 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s3/struc.xyz' 2026-02-10T11:43:20,536 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/s4-c2v/struc.xyz' 2026-02-10T11:43:20,538 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si/struc.xyz' 2026-02-10T11:43:20,540 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/si2h6/struc.xyz' 2026-02-10T11:43:20,542 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif/struc.xyz' 2026-02-10T11:43:20,544 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sif4/struc.xyz' 2026-02-10T11:43:20,546 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih/struc.xyz' 2026-02-10T11:43:20,548 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih3f/struc.xyz' 2026-02-10T11:43:20,550 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sih4/struc.xyz' 2026-02-10T11:43:20,552 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/sio/struc.xyz' 2026-02-10T11:43:20,554 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so/struc.xyz' 2026-02-10T11:43:20,557 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so2/struc.xyz' 2026-02-10T11:43:20,558 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/so3/struc.xyz' 2026-02-10T11:43:20,560 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/ssh/struc.xyz' 2026-02-10T11:43:20,562 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hcoh/struc.xyz' 2026-02-10T11:43:20,563 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hono/struc.xyz' 2026-02-10T11:43:20,565 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-hooo/struc.xyz' 2026-02-10T11:43:20,566 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/W4-11/t-n2h2/struc.xyz' 2026-02-10T11:43:20,569 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O/struc.xyz' 2026-02-10T11:43:20,571 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O2/struc.xyz' 2026-02-10T11:43:20,573 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20/struc.xyz' 2026-02-10T11:43:20,578 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20es/struc.xyz' 2026-02-10T11:43:20,581 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fc/struc.xyz' 2026-02-10T11:43:20,583 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O20fs/struc.xyz' 2026-02-10T11:43:20,585 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O3/struc.xyz' 2026-02-10T11:43:20,587 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O4/struc.xyz' 2026-02-10T11:43:20,589 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O5/struc.xyz' 2026-02-10T11:43:20,591 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6/struc.xyz' 2026-02-10T11:43:20,592 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6b/struc.xyz' 2026-02-10T11:43:20,595 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c/struc.xyz' 2026-02-10T11:43:20,596 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O6c2/struc.xyz' 2026-02-10T11:43:20,598 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8d2d/struc.xyz' 2026-02-10T11:43:20,600 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H2O8s4/struc.xyz' 2026-02-10T11:43:20,602 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3Op/struc.xyz' 2026-02-10T11:43:20,604 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O/struc.xyz' 2026-02-10T11:43:20,606 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O2/struc.xyz' 2026-02-10T11:43:20,608 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O3/struc.xyz' 2026-02-10T11:43:20,609 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O62d/struc.xyz' 2026-02-10T11:43:20,612 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O63d/struc.xyz' 2026-02-10T11:43:20,613 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/H3OpH2O6OHm/struc.xyz' 2026-02-10T11:43:20,615 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHm/struc.xyz' 2026-02-10T11:43:20,617 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O/struc.xyz' 2026-02-10T11:43:20,618 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O2/struc.xyz' 2026-02-10T11:43:20,620 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O3/struc.xyz' 2026-02-10T11:43:20,622 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4c4/struc.xyz' 2026-02-10T11:43:20,623 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O4cs/struc.xyz' 2026-02-10T11:43:20,625 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O5/struc.xyz' 2026-02-10T11:43:20,627 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WATER27/OHmH2O6/struc.xyz' 2026-02-10T11:43:20,629 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/h2o/struc.xyz' 2026-02-10T11:43:20,631 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac1/struc.xyz' 2026-02-10T11:43:20,633 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac2/struc.xyz' 2026-02-10T11:43:20,634 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac3/struc.xyz' 2026-02-10T11:43:20,636 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac4/struc.xyz' 2026-02-10T11:43:20,638 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac5/struc.xyz' 2026-02-10T11:43:20,639 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac6/struc.xyz' 2026-02-10T11:43:20,641 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac7/struc.xyz' 2026-02-10T11:43:20,643 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac8/struc.xyz' 2026-02-10T11:43:20,645 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/reac9/struc.xyz' 2026-02-10T11:43:20,647 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1/struc.xyz' 2026-02-10T11:43:20,648 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts1h2o/struc.xyz' 2026-02-10T11:43:20,650 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2/struc.xyz' 2026-02-10T11:43:20,652 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts2h2o/struc.xyz' 2026-02-10T11:43:20,654 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3/struc.xyz' 2026-02-10T11:43:20,655 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts3h2o/struc.xyz' 2026-02-10T11:43:20,657 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4/struc.xyz' 2026-02-10T11:43:20,659 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts4h2o/struc.xyz' 2026-02-10T11:43:20,660 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5/struc.xyz' 2026-02-10T11:43:20,662 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts5h2o/struc.xyz' 2026-02-10T11:43:20,664 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6/struc.xyz' 2026-02-10T11:43:20,666 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts6h2o/struc.xyz' 2026-02-10T11:43:20,667 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7/struc.xyz' 2026-02-10T11:43:20,669 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts7h2o/struc.xyz' 2026-02-10T11:43:20,671 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8/struc.xyz' 2026-02-10T11:43:20,673 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts8h2o/struc.xyz' 2026-02-10T11:43:20,675 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9/struc.xyz' 2026-02-10T11:43:20,676 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/WCPT18/ts9h2o/struc.xyz' 2026-02-10T11:43:20,679 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/cbh22/struc.xyz' 2026-02-10T11:43:20,681 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ch2/struc.xyz' 2026-02-10T11:43:20,683 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s/struc.xyz' 2026-02-10T11:43:20,685 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-cbh22/struc.xyz' 2026-02-10T11:43:20,686 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/f2s-ch2/struc.xyz' 2026-02-10T11:43:20,689 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s/struc.xyz' 2026-02-10T11:43:20,691 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-cbh22/struc.xyz' 2026-02-10T11:43:20,693 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/h2s-ch2/struc.xyz' 2026-02-10T11:43:20,694 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s/struc.xyz' 2026-02-10T11:43:20,696 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-cbh22/struc.xyz' 2026-02-10T11:43:20,698 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/me2s-ch2/struc.xyz' 2026-02-10T11:43:20,700 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3/struc.xyz' 2026-02-10T11:43:20,702 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-cbh22/struc.xyz' 2026-02-10T11:43:20,704 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nf3-ch2/struc.xyz' 2026-02-10T11:43:20,706 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3/struc.xyz' 2026-02-10T11:43:20,708 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-cbh22/struc.xyz' 2026-02-10T11:43:20,709 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nh3-ch2/struc.xyz' 2026-02-10T11:43:20,711 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3/struc.xyz' 2026-02-10T11:43:20,713 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-cbh22/struc.xyz' 2026-02-10T11:43:20,715 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/nme3-ch2/struc.xyz' 2026-02-10T11:43:20,717 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3/struc.xyz' 2026-02-10T11:43:20,719 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-cbh22/struc.xyz' 2026-02-10T11:43:20,721 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pf3-ch2/struc.xyz' 2026-02-10T11:43:20,723 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3/struc.xyz' 2026-02-10T11:43:20,725 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-cbh22/struc.xyz' 2026-02-10T11:43:20,726 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/ph3-ch2/struc.xyz' 2026-02-10T11:43:20,728 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3/struc.xyz' 2026-02-10T11:43:20,730 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-cbh22/struc.xyz' 2026-02-10T11:43:20,731 adding 'xcbm/GMTKN55_Dataset/STRUCTURES/YBDE18/pme3-ch2/struc.xyz' 2026-02-10T11:43:20,734 adding 'xcbm/Input_Scripts/calc_GMTKN55.py' 2026-02-10T11:43:20,735 adding 'xcbm/Input_Scripts/calc_MGCDB84.py' 2026-02-10T11:43:20,786 adding 'xcbm/MGCDB84_Dataset/DatasetEval.csv' 2026-02-10T11:43:20,793 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz' 2026-02-10T11:43:20,794 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz' 2026-02-10T11:43:20,796 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz' 2026-02-10T11:43:20,797 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz' 2026-02-10T11:43:20,798 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz' 2026-02-10T11:43:20,800 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz' 2026-02-10T11:43:20,801 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz' 2026-02-10T11:43:20,802 adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz' 2026-02-10T11:43:20,814 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz' 2026-02-10T11:43:20,815 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz' 2026-02-10T11:43:20,817 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz' 2026-02-10T11:43:20,818 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz' 2026-02-10T11:43:20,819 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz' 2026-02-10T11:43:20,820 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz' 2026-02-10T11:43:20,822 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz' 2026-02-10T11:43:20,823 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz' 2026-02-10T11:43:20,825 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz' 2026-02-10T11:43:20,826 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz' 2026-02-10T11:43:20,827 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz' 2026-02-10T11:43:20,829 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz' 2026-02-10T11:43:20,830 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz' 2026-02-10T11:43:20,831 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz' 2026-02-10T11:43:20,832 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz' 2026-02-10T11:43:20,834 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz' 2026-02-10T11:43:20,835 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz' 2026-02-10T11:43:20,836 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz' 2026-02-10T11:43:20,838 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:20,839 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:20,840 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:20,842 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:20,843 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:20,844 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:20,846 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:20,847 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:20,849 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:20,850 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:20,851 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:20,852 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:20,853 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:20,854 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:20,856 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:20,857 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:20,858 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:20,859 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:20,861 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:20,862 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:20,864 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:20,865 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:20,866 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:20,868 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:20,869 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:20,870 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:20,872 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:20,873 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:20,875 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:20,876 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:20,877 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:20,879 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:20,880 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:20,881 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:20,883 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:20,884 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:20,885 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:20,887 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:20,888 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:20,890 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:20,891 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:20,892 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:20,894 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:20,895 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:20,896 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:20,898 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:20,899 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:20,900 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:20,901 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:20,903 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:20,904 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:20,905 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:20,906 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:20,908 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:20,909 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:20,911 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:20,912 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:20,913 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:20,915 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:20,916 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:20,917 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:20,918 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:20,920 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:20,921 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:20,923 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:20,924 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:20,925 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:20,927 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:20,928 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:20,929 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:20,931 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:20,932 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:20,933 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:20,935 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:20,936 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:20,937 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:20,939 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:20,940 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:20,941 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:20,943 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:20,944 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:20,946 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:20,947 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:20,948 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:20,949 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:20,951 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:20,952 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:20,953 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:20,954 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:20,956 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:20,957 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:20,958 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:20,960 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:20,961 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:20,962 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:20,963 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:20,965 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:20,966 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:20,967 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:20,969 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:20,970 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:20,971 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:20,973 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:20,974 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:20,975 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:20,976 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:20,977 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:20,979 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:20,980 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:20,981 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:20,983 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:20,984 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:20,985 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:20,987 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:20,988 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:20,989 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:20,990 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:20,992 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:20,993 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:20,995 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:20,996 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:20,997 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:20,998 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:21,000 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:21,001 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:21,002 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:21,003 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:21,005 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:21,006 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:21,007 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,009 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,010 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,011 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:21,012 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:21,014 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:21,015 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,016 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,018 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,019 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:21,020 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:21,022 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:21,023 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,024 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,025 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,027 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,028 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,030 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,031 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:21,032 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:21,033 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:21,035 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,036 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,037 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,038 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:21,040 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:21,041 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:21,042 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,044 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,045 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,046 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:21,048 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:21,050 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:21,051 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,052 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,054 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,055 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:21,056 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:21,057 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:21,059 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,060 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,062 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,063 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:21,064 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:21,066 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:21,067 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,069 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,070 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,071 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:21,072 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:21,074 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:21,075 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,076 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,078 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,079 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:21,081 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:21,082 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:21,083 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,085 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,086 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,087 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:21,089 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:21,090 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:21,091 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:21,093 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:21,094 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:21,095 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:21,097 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:21,098 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:21,099 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:21,101 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:21,102 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:21,103 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz' 2026-02-10T11:43:21,104 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz' 2026-02-10T11:43:21,106 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz' 2026-02-10T11:43:21,107 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:21,108 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:21,109 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:21,110 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz' 2026-02-10T11:43:21,111 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz' 2026-02-10T11:43:21,113 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz' 2026-02-10T11:43:21,114 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:21,115 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:21,116 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:21,118 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz' 2026-02-10T11:43:21,119 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz' 2026-02-10T11:43:21,121 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz' 2026-02-10T11:43:21,122 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:21,123 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:21,125 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:21,126 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,127 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,129 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,130 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:21,131 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:21,133 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:21,134 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,135 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,137 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,138 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:21,139 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:21,140 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:21,142 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,143 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,144 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,145 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:21,146 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:21,147 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:21,149 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:21,150 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:21,151 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:21,153 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:21,154 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:21,155 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:21,157 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:21,158 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:21,159 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:21,161 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:21,162 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:21,163 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:21,164 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:21,166 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:21,167 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:21,168 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:21,169 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:21,171 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:21,172 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:21,173 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:21,175 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:21,176 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:21,177 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:21,179 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:21,180 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:21,181 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:21,183 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:21,184 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:21,185 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:21,187 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:21,188 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:21,189 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:21,190 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:21,192 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:21,193 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:21,194 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:21,195 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:21,196 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:21,198 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:21,199 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:21,200 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:21,202 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:21,203 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:21,204 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:21,205 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:21,206 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:21,207 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:21,209 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:21,210 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:21,211 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:21,213 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:21,214 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:21,215 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:21,217 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:21,218 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:21,219 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:21,221 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:21,222 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:21,223 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:21,225 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:21,226 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:21,227 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:21,229 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:21,230 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:21,231 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:21,233 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:21,234 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:21,235 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:21,237 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:21,238 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:21,240 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:21,241 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:21,242 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz' 2026-02-10T11:43:21,243 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz' 2026-02-10T11:43:21,245 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz' 2026-02-10T11:43:21,246 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:21,247 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:21,248 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:21,250 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz' 2026-02-10T11:43:21,251 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz' 2026-02-10T11:43:21,252 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz' 2026-02-10T11:43:21,254 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:21,255 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:21,256 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:21,257 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz' 2026-02-10T11:43:21,259 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz' 2026-02-10T11:43:21,260 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz' 2026-02-10T11:43:21,261 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:21,263 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:21,264 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:21,265 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,266 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,267 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,269 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:21,270 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:21,271 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:21,272 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,274 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,275 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,276 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:21,277 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:21,279 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:21,280 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,281 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,282 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,284 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:21,285 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:21,286 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:21,287 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:21,288 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:21,290 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:21,291 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:21,292 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:21,293 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:21,295 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:21,296 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:21,297 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:21,299 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:21,300 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:21,301 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:21,303 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:21,304 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:21,305 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:21,307 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:21,308 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:21,309 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:21,310 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz' 2026-02-10T11:43:21,312 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz' 2026-02-10T11:43:21,313 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz' 2026-02-10T11:43:21,314 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:21,315 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:21,317 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:21,318 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz' 2026-02-10T11:43:21,319 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz' 2026-02-10T11:43:21,320 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz' 2026-02-10T11:43:21,322 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:21,323 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:21,325 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:21,326 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz' 2026-02-10T11:43:21,328 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz' 2026-02-10T11:43:21,329 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz' 2026-02-10T11:43:21,331 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:21,332 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:21,333 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:21,334 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:21,336 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:21,337 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:21,338 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:21,339 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:21,340 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:21,341 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:21,343 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:21,344 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:21,345 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:21,347 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:21,348 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:21,350 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:21,351 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:21,352 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:21,360 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz' 2026-02-10T11:43:21,361 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz' 2026-02-10T11:43:21,362 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz' 2026-02-10T11:43:21,363 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz' 2026-02-10T11:43:21,365 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz' 2026-02-10T11:43:21,366 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz' 2026-02-10T11:43:21,367 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz' 2026-02-10T11:43:21,368 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz' 2026-02-10T11:43:21,369 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz' 2026-02-10T11:43:21,371 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz' 2026-02-10T11:43:21,372 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz' 2026-02-10T11:43:21,373 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz' 2026-02-10T11:43:21,374 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:21,376 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:21,377 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:21,378 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:21,380 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:21,381 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:21,382 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:21,383 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:21,385 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:21,386 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:21,387 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:21,388 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:21,390 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:21,391 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:21,392 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:21,393 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:21,395 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:21,396 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:21,397 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:21,398 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:21,400 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:21,401 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:21,402 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:21,404 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:21,405 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:21,406 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:21,407 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:21,409 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:21,410 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:21,411 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:21,413 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:21,414 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:21,415 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:21,416 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:21,418 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:21,419 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:21,420 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:21,422 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:21,423 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:21,424 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:21,425 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:21,426 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:21,428 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:21,429 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:21,430 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:21,431 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:21,433 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:21,434 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:21,435 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,437 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,438 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,439 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,441 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,442 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,443 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,444 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,445 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,446 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,448 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,449 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,450 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,451 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,453 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,454 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,455 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,456 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,458 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,459 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,460 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,462 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,463 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,464 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,465 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:21,467 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:21,468 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:21,469 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:21,470 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:21,472 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:21,473 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:21,474 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:21,475 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:21,477 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:21,478 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:21,479 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:21,480 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,481 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,483 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,484 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:21,485 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,487 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,488 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,489 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:21,490 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,492 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,493 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,494 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:21,496 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:21,497 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:21,498 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:21,499 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:21,501 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:21,502 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:21,503 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:21,504 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:21,506 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:21,507 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:21,508 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:21,509 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:21,511 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:21,512 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:21,513 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:21,515 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:21,516 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:21,517 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:21,519 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:21,520 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:21,521 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:21,522 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:21,524 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:21,525 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:21,526 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:21,527 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:21,529 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:21,530 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:21,531 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:21,533 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:21,534 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:21,535 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:21,536 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:21,537 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:21,538 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:21,539 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:21,541 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz' 2026-02-10T11:43:21,542 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz' 2026-02-10T11:43:21,543 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz' 2026-02-10T11:43:21,544 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz' 2026-02-10T11:43:21,545 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz' 2026-02-10T11:43:21,546 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz' 2026-02-10T11:43:21,547 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz' 2026-02-10T11:43:21,549 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz' 2026-02-10T11:43:21,550 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz' 2026-02-10T11:43:21,551 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz' 2026-02-10T11:43:21,552 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz' 2026-02-10T11:43:21,554 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz' 2026-02-10T11:43:21,555 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,556 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,557 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,559 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:21,560 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,561 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,562 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,564 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:21,565 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:21,566 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:21,567 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:21,569 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:21,570 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:21,571 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:21,573 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:21,574 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:21,575 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:21,577 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:21,578 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:21,579 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:21,580 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:21,581 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:21,582 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:21,584 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:21,585 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:21,586 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:21,587 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:21,589 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:21,590 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:21,591 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:21,593 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:21,594 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:21,595 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:21,597 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:21,598 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:21,599 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:21,601 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:21,602 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:21,603 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:21,604 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:21,606 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:21,607 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:21,608 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:21,609 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:21,611 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:21,612 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:21,613 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:21,614 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:21,615 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:21,617 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:21,618 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:21,619 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:21,621 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:21,622 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:21,623 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:21,624 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:21,625 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:21,626 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:21,628 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:21,629 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:21,630 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz' 2026-02-10T11:43:21,632 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz' 2026-02-10T11:43:21,633 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz' 2026-02-10T11:43:21,634 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz' 2026-02-10T11:43:21,636 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz' 2026-02-10T11:43:21,637 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz' 2026-02-10T11:43:21,638 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz' 2026-02-10T11:43:21,640 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz' 2026-02-10T11:43:21,641 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz' 2026-02-10T11:43:21,642 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz' 2026-02-10T11:43:21,643 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz' 2026-02-10T11:43:21,645 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz' 2026-02-10T11:43:21,646 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,647 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,649 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,650 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,651 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,652 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,654 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,655 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,656 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:21,657 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:21,658 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:21,660 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:21,661 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:21,662 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:21,663 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:21,665 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:21,666 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:21,667 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:21,669 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:21,670 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:21,671 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:21,672 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:21,674 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:21,675 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:21,676 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz' 2026-02-10T11:43:21,678 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz' 2026-02-10T11:43:21,679 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz' 2026-02-10T11:43:21,680 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz' 2026-02-10T11:43:21,682 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz' 2026-02-10T11:43:21,683 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz' 2026-02-10T11:43:21,684 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz' 2026-02-10T11:43:21,685 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz' 2026-02-10T11:43:21,687 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz' 2026-02-10T11:43:21,688 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz' 2026-02-10T11:43:21,689 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz' 2026-02-10T11:43:21,690 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz' 2026-02-10T11:43:21,691 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:21,693 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:21,694 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:21,695 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:21,696 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:21,698 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:21,699 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:21,700 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:21,701 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:21,703 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:21,704 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:21,705 adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:21,713 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,714 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,716 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,717 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,718 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,719 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,720 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,722 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,723 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,724 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,725 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,726 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,727 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,728 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,729 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,730 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,732 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,733 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,734 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,735 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,736 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,737 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,738 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,739 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,740 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,742 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,743 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,744 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,745 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,746 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,747 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,748 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,750 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,751 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,752 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,753 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,754 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,755 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,756 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,758 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,759 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,760 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,761 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,762 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,764 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,765 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,766 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,767 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,768 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,769 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,770 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,771 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,772 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,773 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,774 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,775 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,776 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,778 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,779 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,780 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,781 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,782 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,783 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,784 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,785 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,786 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,788 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,789 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,790 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,791 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,792 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,793 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,794 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,796 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,797 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,798 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,799 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,800 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,802 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,803 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,804 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,805 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,806 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,807 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,808 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,810 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,811 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,812 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,813 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,814 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,815 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,816 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,817 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,818 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,820 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,821 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,822 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,823 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,825 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,826 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,827 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,828 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,830 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,831 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,832 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,833 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,834 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,836 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,837 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,838 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,839 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,841 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,842 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,843 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,844 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,845 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,847 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,848 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,849 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,851 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,852 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,853 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,854 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,855 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,856 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,857 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,858 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,859 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,861 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,862 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,863 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,864 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,866 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,867 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,868 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,869 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,870 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,872 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,873 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,874 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,875 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,877 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,878 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,879 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,880 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,881 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,883 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,884 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,885 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,886 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,887 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,889 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,890 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,891 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,892 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,893 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,894 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,896 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,897 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,898 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,899 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,901 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,902 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,903 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,904 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,905 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,906 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,908 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,909 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,910 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,912 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,913 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,914 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,915 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,917 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,918 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,919 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,921 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,922 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,923 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,924 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,925 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,927 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,928 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,929 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,930 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,931 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,932 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,934 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,935 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,936 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,937 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,938 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,940 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,941 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,943 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,944 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,945 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,946 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,947 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,948 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,949 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,951 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,952 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,953 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,954 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,955 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,956 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,957 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,958 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,959 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,961 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,962 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,963 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,964 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,966 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,967 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,968 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,969 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,970 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,972 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,973 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,974 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,975 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,977 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,978 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,979 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,981 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:21,982 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:21,983 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:21,985 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:21,986 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:21,987 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:21,989 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:21,990 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:21,991 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:21,992 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:21,994 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:21,995 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:21,996 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:21,997 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:21,999 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:22,000 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:22,001 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:22,003 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:22,004 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:22,005 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:22,006 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:22,007 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:22,010 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:22,011 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:22,012 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:22,013 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz' 2026-02-10T11:43:22,015 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz' 2026-02-10T11:43:22,016 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz' 2026-02-10T11:43:22,017 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz' 2026-02-10T11:43:22,018 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz' 2026-02-10T11:43:22,020 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz' 2026-02-10T11:43:22,021 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz' 2026-02-10T11:43:22,022 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz' 2026-02-10T11:43:22,023 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz' 2026-02-10T11:43:22,024 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz' 2026-02-10T11:43:22,026 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz' 2026-02-10T11:43:22,027 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz' 2026-02-10T11:43:22,028 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz' 2026-02-10T11:43:22,029 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz' 2026-02-10T11:43:22,031 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz' 2026-02-10T11:43:22,032 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz' 2026-02-10T11:43:22,033 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz' 2026-02-10T11:43:22,034 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz' 2026-02-10T11:43:22,035 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz' 2026-02-10T11:43:22,036 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz' 2026-02-10T11:43:22,037 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz' 2026-02-10T11:43:22,038 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz' 2026-02-10T11:43:22,039 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz' 2026-02-10T11:43:22,040 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz' 2026-02-10T11:43:22,042 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz' 2026-02-10T11:43:22,043 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz' 2026-02-10T11:43:22,044 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz' 2026-02-10T11:43:22,045 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz' 2026-02-10T11:43:22,046 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz' 2026-02-10T11:43:22,047 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz' 2026-02-10T11:43:22,048 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz' 2026-02-10T11:43:22,049 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz' 2026-02-10T11:43:22,051 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz' 2026-02-10T11:43:22,052 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz' 2026-02-10T11:43:22,053 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz' 2026-02-10T11:43:22,054 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz' 2026-02-10T11:43:22,055 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz' 2026-02-10T11:43:22,056 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz' 2026-02-10T11:43:22,058 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz' 2026-02-10T11:43:22,059 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz' 2026-02-10T11:43:22,060 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz' 2026-02-10T11:43:22,061 adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz' 2026-02-10T11:43:22,064 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz' 2026-02-10T11:43:22,066 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz' 2026-02-10T11:43:22,067 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz' 2026-02-10T11:43:22,068 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz' 2026-02-10T11:43:22,070 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz' 2026-02-10T11:43:22,071 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz' 2026-02-10T11:43:22,072 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz' 2026-02-10T11:43:22,073 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz' 2026-02-10T11:43:22,075 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz' 2026-02-10T11:43:22,076 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz' 2026-02-10T11:43:22,077 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz' 2026-02-10T11:43:22,079 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz' 2026-02-10T11:43:22,080 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz' 2026-02-10T11:43:22,081 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz' 2026-02-10T11:43:22,083 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz' 2026-02-10T11:43:22,084 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz' 2026-02-10T11:43:22,085 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz' 2026-02-10T11:43:22,086 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz' 2026-02-10T11:43:22,087 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz' 2026-02-10T11:43:22,088 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz' 2026-02-10T11:43:22,090 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz' 2026-02-10T11:43:22,091 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz' 2026-02-10T11:43:22,092 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz' 2026-02-10T11:43:22,093 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz' 2026-02-10T11:43:22,094 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz' 2026-02-10T11:43:22,095 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz' 2026-02-10T11:43:22,096 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz' 2026-02-10T11:43:22,097 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz' 2026-02-10T11:43:22,098 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz' 2026-02-10T11:43:22,099 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz' 2026-02-10T11:43:22,101 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz' 2026-02-10T11:43:22,102 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz' 2026-02-10T11:43:22,103 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz' 2026-02-10T11:43:22,104 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz' 2026-02-10T11:43:22,105 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz' 2026-02-10T11:43:22,106 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz' 2026-02-10T11:43:22,108 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz' 2026-02-10T11:43:22,109 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz' 2026-02-10T11:43:22,110 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz' 2026-02-10T11:43:22,112 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz' 2026-02-10T11:43:22,113 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz' 2026-02-10T11:43:22,114 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz' 2026-02-10T11:43:22,115 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz' 2026-02-10T11:43:22,117 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz' 2026-02-10T11:43:22,118 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz' 2026-02-10T11:43:22,120 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz' 2026-02-10T11:43:22,121 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz' 2026-02-10T11:43:22,122 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz' 2026-02-10T11:43:22,123 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz' 2026-02-10T11:43:22,125 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz' 2026-02-10T11:43:22,126 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz' 2026-02-10T11:43:22,127 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz' 2026-02-10T11:43:22,129 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz' 2026-02-10T11:43:22,131 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz' 2026-02-10T11:43:22,131 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz' 2026-02-10T11:43:22,133 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz' 2026-02-10T11:43:22,134 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz' 2026-02-10T11:43:22,135 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz' 2026-02-10T11:43:22,136 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz' 2026-02-10T11:43:22,137 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz' 2026-02-10T11:43:22,138 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz' 2026-02-10T11:43:22,139 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz' 2026-02-10T11:43:22,140 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz' 2026-02-10T11:43:22,141 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz' 2026-02-10T11:43:22,143 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz' 2026-02-10T11:43:22,144 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz' 2026-02-10T11:43:22,145 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz' 2026-02-10T11:43:22,146 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz' 2026-02-10T11:43:22,147 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz' 2026-02-10T11:43:22,148 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz' 2026-02-10T11:43:22,150 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz' 2026-02-10T11:43:22,151 adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz' 2026-02-10T11:43:22,153 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz' 2026-02-10T11:43:22,154 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz' 2026-02-10T11:43:22,155 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz' 2026-02-10T11:43:22,157 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz' 2026-02-10T11:43:22,158 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz' 2026-02-10T11:43:22,160 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz' 2026-02-10T11:43:22,161 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz' 2026-02-10T11:43:22,162 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz' 2026-02-10T11:43:22,163 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz' 2026-02-10T11:43:22,165 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz' 2026-02-10T11:43:22,166 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz' 2026-02-10T11:43:22,167 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz' 2026-02-10T11:43:22,169 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz' 2026-02-10T11:43:22,170 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz' 2026-02-10T11:43:22,172 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz' 2026-02-10T11:43:22,173 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz' 2026-02-10T11:43:22,174 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz' 2026-02-10T11:43:22,175 adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz' 2026-02-10T11:43:22,177 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz' 2026-02-10T11:43:22,178 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz' 2026-02-10T11:43:22,180 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz' 2026-02-10T11:43:22,181 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz' 2026-02-10T11:43:22,182 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz' 2026-02-10T11:43:22,183 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz' 2026-02-10T11:43:22,184 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz' 2026-02-10T11:43:22,186 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz' 2026-02-10T11:43:22,187 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz' 2026-02-10T11:43:22,188 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz' 2026-02-10T11:43:22,189 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz' 2026-02-10T11:43:22,190 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz' 2026-02-10T11:43:22,192 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz' 2026-02-10T11:43:22,193 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz' 2026-02-10T11:43:22,194 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz' 2026-02-10T11:43:22,195 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz' 2026-02-10T11:43:22,196 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz' 2026-02-10T11:43:22,197 adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz' 2026-02-10T11:43:22,199 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz' 2026-02-10T11:43:22,200 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz' 2026-02-10T11:43:22,201 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz' 2026-02-10T11:43:22,202 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz' 2026-02-10T11:43:22,204 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz' 2026-02-10T11:43:22,205 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz' 2026-02-10T11:43:22,206 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz' 2026-02-10T11:43:22,208 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz' 2026-02-10T11:43:22,209 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz' 2026-02-10T11:43:22,210 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz' 2026-02-10T11:43:22,211 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz' 2026-02-10T11:43:22,212 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz' 2026-02-10T11:43:22,214 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz' 2026-02-10T11:43:22,215 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz' 2026-02-10T11:43:22,217 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz' 2026-02-10T11:43:22,218 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz' 2026-02-10T11:43:22,219 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz' 2026-02-10T11:43:22,221 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz' 2026-02-10T11:43:22,222 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz' 2026-02-10T11:43:22,223 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz' 2026-02-10T11:43:22,225 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz' 2026-02-10T11:43:22,227 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,228 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,229 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,231 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,232 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,233 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,235 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,236 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,237 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,239 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,240 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,241 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,243 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,245 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,246 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,247 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,248 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,250 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,251 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,252 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,254 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,255 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz' 2026-02-10T11:43:22,256 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz' 2026-02-10T11:43:22,257 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz' 2026-02-10T11:43:22,259 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz' 2026-02-10T11:43:22,260 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz' 2026-02-10T11:43:22,261 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz' 2026-02-10T11:43:22,262 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz' 2026-02-10T11:43:22,264 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz' 2026-02-10T11:43:22,265 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz' 2026-02-10T11:43:22,266 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz' 2026-02-10T11:43:22,267 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz' 2026-02-10T11:43:22,269 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz' 2026-02-10T11:43:22,270 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz' 2026-02-10T11:43:22,271 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz' 2026-02-10T11:43:22,272 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz' 2026-02-10T11:43:22,274 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz' 2026-02-10T11:43:22,275 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz' 2026-02-10T11:43:22,278 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz' 2026-02-10T11:43:22,279 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz' 2026-02-10T11:43:22,281 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz' 2026-02-10T11:43:22,282 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz' 2026-02-10T11:43:22,283 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz' 2026-02-10T11:43:22,284 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz' 2026-02-10T11:43:22,285 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz' 2026-02-10T11:43:22,287 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz' 2026-02-10T11:43:22,288 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz' 2026-02-10T11:43:22,289 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz' 2026-02-10T11:43:22,291 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz' 2026-02-10T11:43:22,292 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz' 2026-02-10T11:43:22,293 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz' 2026-02-10T11:43:22,294 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz' 2026-02-10T11:43:22,296 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz' 2026-02-10T11:43:22,297 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz' 2026-02-10T11:43:22,298 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz' 2026-02-10T11:43:22,299 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz' 2026-02-10T11:43:22,301 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz' 2026-02-10T11:43:22,302 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz' 2026-02-10T11:43:22,304 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz' 2026-02-10T11:43:22,305 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz' 2026-02-10T11:43:22,306 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz' 2026-02-10T11:43:22,308 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz' 2026-02-10T11:43:22,309 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz' 2026-02-10T11:43:22,310 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz' 2026-02-10T11:43:22,312 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz' 2026-02-10T11:43:22,313 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz' 2026-02-10T11:43:22,315 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz' 2026-02-10T11:43:22,316 adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz' 2026-02-10T11:43:22,319 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:22,320 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz' 2026-02-10T11:43:22,322 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz' 2026-02-10T11:43:22,323 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz' 2026-02-10T11:43:22,324 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz' 2026-02-10T11:43:22,325 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz' 2026-02-10T11:43:22,326 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz' 2026-02-10T11:43:22,327 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz' 2026-02-10T11:43:22,329 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz' 2026-02-10T11:43:22,330 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz' 2026-02-10T11:43:22,331 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz' 2026-02-10T11:43:22,332 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz' 2026-02-10T11:43:22,333 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz' 2026-02-10T11:43:22,334 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz' 2026-02-10T11:43:22,335 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz' 2026-02-10T11:43:22,336 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz' 2026-02-10T11:43:22,338 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz' 2026-02-10T11:43:22,339 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz' 2026-02-10T11:43:22,340 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz' 2026-02-10T11:43:22,341 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz' 2026-02-10T11:43:22,342 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz' 2026-02-10T11:43:22,344 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz' 2026-02-10T11:43:22,345 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz' 2026-02-10T11:43:22,346 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz' 2026-02-10T11:43:22,347 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz' 2026-02-10T11:43:22,348 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz' 2026-02-10T11:43:22,349 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz' 2026-02-10T11:43:22,350 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz' 2026-02-10T11:43:22,351 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz' 2026-02-10T11:43:22,352 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz' 2026-02-10T11:43:22,353 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz' 2026-02-10T11:43:22,354 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz' 2026-02-10T11:43:22,355 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz' 2026-02-10T11:43:22,356 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz' 2026-02-10T11:43:22,357 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz' 2026-02-10T11:43:22,358 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz' 2026-02-10T11:43:22,359 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz' 2026-02-10T11:43:22,360 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz' 2026-02-10T11:43:22,362 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz' 2026-02-10T11:43:22,363 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:22,364 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz' 2026-02-10T11:43:22,365 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz' 2026-02-10T11:43:22,366 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz' 2026-02-10T11:43:22,367 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz' 2026-02-10T11:43:22,368 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz' 2026-02-10T11:43:22,369 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz' 2026-02-10T11:43:22,371 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz' 2026-02-10T11:43:22,372 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz' 2026-02-10T11:43:22,373 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz' 2026-02-10T11:43:22,374 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz' 2026-02-10T11:43:22,375 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz' 2026-02-10T11:43:22,376 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz' 2026-02-10T11:43:22,377 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz' 2026-02-10T11:43:22,379 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz' 2026-02-10T11:43:22,380 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz' 2026-02-10T11:43:22,381 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz' 2026-02-10T11:43:22,382 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz' 2026-02-10T11:43:22,383 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz' 2026-02-10T11:43:22,385 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz' 2026-02-10T11:43:22,386 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz' 2026-02-10T11:43:22,387 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz' 2026-02-10T11:43:22,388 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz' 2026-02-10T11:43:22,389 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz' 2026-02-10T11:43:22,391 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz' 2026-02-10T11:43:22,392 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz' 2026-02-10T11:43:22,393 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz' 2026-02-10T11:43:22,394 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz' 2026-02-10T11:43:22,395 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz' 2026-02-10T11:43:22,396 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz' 2026-02-10T11:43:22,397 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz' 2026-02-10T11:43:22,398 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz' 2026-02-10T11:43:22,399 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz' 2026-02-10T11:43:22,400 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz' 2026-02-10T11:43:22,401 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz' 2026-02-10T11:43:22,403 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz' 2026-02-10T11:43:22,404 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz' 2026-02-10T11:43:22,405 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz' 2026-02-10T11:43:22,406 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz' 2026-02-10T11:43:22,407 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz' 2026-02-10T11:43:22,408 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz' 2026-02-10T11:43:22,410 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz' 2026-02-10T11:43:22,411 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz' 2026-02-10T11:43:22,412 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz' 2026-02-10T11:43:22,413 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz' 2026-02-10T11:43:22,414 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz' 2026-02-10T11:43:22,415 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz' 2026-02-10T11:43:22,416 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz' 2026-02-10T11:43:22,417 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz' 2026-02-10T11:43:22,418 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz' 2026-02-10T11:43:22,420 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz' 2026-02-10T11:43:22,421 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz' 2026-02-10T11:43:22,422 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz' 2026-02-10T11:43:22,423 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz' 2026-02-10T11:43:22,424 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz' 2026-02-10T11:43:22,426 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz' 2026-02-10T11:43:22,427 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz' 2026-02-10T11:43:22,428 adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:22,431 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz' 2026-02-10T11:43:22,433 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz' 2026-02-10T11:43:22,434 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz' 2026-02-10T11:43:22,435 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz' 2026-02-10T11:43:22,436 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz' 2026-02-10T11:43:22,437 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz' 2026-02-10T11:43:22,438 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz' 2026-02-10T11:43:22,440 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz' 2026-02-10T11:43:22,441 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz' 2026-02-10T11:43:22,442 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz' 2026-02-10T11:43:22,443 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz' 2026-02-10T11:43:22,444 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz' 2026-02-10T11:43:22,446 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz' 2026-02-10T11:43:22,447 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz' 2026-02-10T11:43:22,448 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz' 2026-02-10T11:43:22,449 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz' 2026-02-10T11:43:22,450 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz' 2026-02-10T11:43:22,451 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz' 2026-02-10T11:43:22,452 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz' 2026-02-10T11:43:22,453 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz' 2026-02-10T11:43:22,454 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz' 2026-02-10T11:43:22,455 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz' 2026-02-10T11:43:22,456 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz' 2026-02-10T11:43:22,457 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz' 2026-02-10T11:43:22,458 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz' 2026-02-10T11:43:22,460 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz' 2026-02-10T11:43:22,461 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz' 2026-02-10T11:43:22,463 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz' 2026-02-10T11:43:22,464 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz' 2026-02-10T11:43:22,465 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz' 2026-02-10T11:43:22,466 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz' 2026-02-10T11:43:22,467 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz' 2026-02-10T11:43:22,468 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz' 2026-02-10T11:43:22,469 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz' 2026-02-10T11:43:22,471 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz' 2026-02-10T11:43:22,472 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz' 2026-02-10T11:43:22,473 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz' 2026-02-10T11:43:22,474 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz' 2026-02-10T11:43:22,475 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz' 2026-02-10T11:43:22,476 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz' 2026-02-10T11:43:22,478 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz' 2026-02-10T11:43:22,479 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz' 2026-02-10T11:43:22,480 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz' 2026-02-10T11:43:22,481 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz' 2026-02-10T11:43:22,482 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz' 2026-02-10T11:43:22,483 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz' 2026-02-10T11:43:22,484 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz' 2026-02-10T11:43:22,485 adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz' 2026-02-10T11:43:22,488 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz' 2026-02-10T11:43:22,489 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz' 2026-02-10T11:43:22,490 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz' 2026-02-10T11:43:22,491 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz' 2026-02-10T11:43:22,493 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz' 2026-02-10T11:43:22,494 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz' 2026-02-10T11:43:22,495 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz' 2026-02-10T11:43:22,496 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz' 2026-02-10T11:43:22,497 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz' 2026-02-10T11:43:22,499 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz' 2026-02-10T11:43:22,500 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz' 2026-02-10T11:43:22,501 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz' 2026-02-10T11:43:22,502 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz' 2026-02-10T11:43:22,503 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz' 2026-02-10T11:43:22,504 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz' 2026-02-10T11:43:22,506 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz' 2026-02-10T11:43:22,507 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz' 2026-02-10T11:43:22,508 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz' 2026-02-10T11:43:22,509 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz' 2026-02-10T11:43:22,510 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz' 2026-02-10T11:43:22,511 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz' 2026-02-10T11:43:22,512 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz' 2026-02-10T11:43:22,513 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz' 2026-02-10T11:43:22,514 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz' 2026-02-10T11:43:22,516 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz' 2026-02-10T11:43:22,517 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz' 2026-02-10T11:43:22,518 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz' 2026-02-10T11:43:22,519 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz' 2026-02-10T11:43:22,520 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz' 2026-02-10T11:43:22,521 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz' 2026-02-10T11:43:22,522 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz' 2026-02-10T11:43:22,524 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz' 2026-02-10T11:43:22,525 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz' 2026-02-10T11:43:22,526 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz' 2026-02-10T11:43:22,527 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz' 2026-02-10T11:43:22,528 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz' 2026-02-10T11:43:22,529 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz' 2026-02-10T11:43:22,531 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz' 2026-02-10T11:43:22,532 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz' 2026-02-10T11:43:22,533 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz' 2026-02-10T11:43:22,534 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz' 2026-02-10T11:43:22,535 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz' 2026-02-10T11:43:22,536 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz' 2026-02-10T11:43:22,538 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz' 2026-02-10T11:43:22,539 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz' 2026-02-10T11:43:22,540 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz' 2026-02-10T11:43:22,541 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz' 2026-02-10T11:43:22,542 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz' 2026-02-10T11:43:22,544 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz' 2026-02-10T11:43:22,545 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz' 2026-02-10T11:43:22,546 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz' 2026-02-10T11:43:22,547 adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz' 2026-02-10T11:43:22,549 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz' 2026-02-10T11:43:22,550 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz' 2026-02-10T11:43:22,551 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz' 2026-02-10T11:43:22,553 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz' 2026-02-10T11:43:22,554 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz' 2026-02-10T11:43:22,556 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz' 2026-02-10T11:43:22,557 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz' 2026-02-10T11:43:22,558 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz' 2026-02-10T11:43:22,559 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz' 2026-02-10T11:43:22,561 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz' 2026-02-10T11:43:22,562 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz' 2026-02-10T11:43:22,563 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz' 2026-02-10T11:43:22,565 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz' 2026-02-10T11:43:22,566 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz' 2026-02-10T11:43:22,567 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz' 2026-02-10T11:43:22,568 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz' 2026-02-10T11:43:22,570 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz' 2026-02-10T11:43:22,571 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz' 2026-02-10T11:43:22,572 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz' 2026-02-10T11:43:22,573 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz' 2026-02-10T11:43:22,575 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz' 2026-02-10T11:43:22,576 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz' 2026-02-10T11:43:22,577 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz' 2026-02-10T11:43:22,579 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz' 2026-02-10T11:43:22,580 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz' 2026-02-10T11:43:22,581 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz' 2026-02-10T11:43:22,582 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz' 2026-02-10T11:43:22,584 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz' 2026-02-10T11:43:22,585 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz' 2026-02-10T11:43:22,586 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz' 2026-02-10T11:43:22,588 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz' 2026-02-10T11:43:22,589 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz' 2026-02-10T11:43:22,590 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz' 2026-02-10T11:43:22,592 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz' 2026-02-10T11:43:22,593 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz' 2026-02-10T11:43:22,594 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz' 2026-02-10T11:43:22,595 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz' 2026-02-10T11:43:22,597 adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz' 2026-02-10T11:43:22,600 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz' 2026-02-10T11:43:22,601 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz' 2026-02-10T11:43:22,603 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz' 2026-02-10T11:43:22,604 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz' 2026-02-10T11:43:22,605 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz' 2026-02-10T11:43:22,606 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz' 2026-02-10T11:43:22,608 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz' 2026-02-10T11:43:22,609 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz' 2026-02-10T11:43:22,610 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz' 2026-02-10T11:43:22,611 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz' 2026-02-10T11:43:22,612 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz' 2026-02-10T11:43:22,613 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz' 2026-02-10T11:43:22,615 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz' 2026-02-10T11:43:22,616 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz' 2026-02-10T11:43:22,617 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz' 2026-02-10T11:43:22,618 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz' 2026-02-10T11:43:22,620 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz' 2026-02-10T11:43:22,621 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz' 2026-02-10T11:43:22,622 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,624 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,625 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,626 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,627 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,628 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,630 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,631 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,632 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,633 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,634 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,635 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,637 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,638 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,639 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,640 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,641 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,643 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,644 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,645 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,646 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,647 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,648 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,650 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,651 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,652 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,653 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,654 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,655 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,656 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,657 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,658 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,660 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,661 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz' 2026-02-10T11:43:22,662 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz' 2026-02-10T11:43:22,663 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz' 2026-02-10T11:43:22,664 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,666 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,667 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,668 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,669 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,671 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,672 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,673 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,674 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,675 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,676 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,677 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,679 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,680 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,681 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,682 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,683 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,686 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,687 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,688 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,689 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,691 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,692 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,693 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,694 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,695 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,696 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,697 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,699 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,700 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,701 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,702 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,703 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,704 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz' 2026-02-10T11:43:22,705 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz' 2026-02-10T11:43:22,706 adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz' 2026-02-10T11:43:22,709 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz' 2026-02-10T11:43:22,710 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz' 2026-02-10T11:43:22,712 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz' 2026-02-10T11:43:22,713 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz' 2026-02-10T11:43:22,714 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz' 2026-02-10T11:43:22,715 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz' 2026-02-10T11:43:22,716 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz' 2026-02-10T11:43:22,717 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz' 2026-02-10T11:43:22,719 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz' 2026-02-10T11:43:22,720 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz' 2026-02-10T11:43:22,721 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz' 2026-02-10T11:43:22,722 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz' 2026-02-10T11:43:22,723 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz' 2026-02-10T11:43:22,724 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz' 2026-02-10T11:43:22,726 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz' 2026-02-10T11:43:22,727 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz' 2026-02-10T11:43:22,728 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz' 2026-02-10T11:43:22,729 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz' 2026-02-10T11:43:22,730 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz' 2026-02-10T11:43:22,732 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz' 2026-02-10T11:43:22,733 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz' 2026-02-10T11:43:22,734 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz' 2026-02-10T11:43:22,735 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz' 2026-02-10T11:43:22,736 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz' 2026-02-10T11:43:22,738 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz' 2026-02-10T11:43:22,739 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz' 2026-02-10T11:43:22,740 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz' 2026-02-10T11:43:22,741 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz' 2026-02-10T11:43:22,742 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz' 2026-02-10T11:43:22,744 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz' 2026-02-10T11:43:22,745 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz' 2026-02-10T11:43:22,746 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz' 2026-02-10T11:43:22,747 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz' 2026-02-10T11:43:22,749 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz' 2026-02-10T11:43:22,750 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz' 2026-02-10T11:43:22,752 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz' 2026-02-10T11:43:22,753 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz' 2026-02-10T11:43:22,754 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz' 2026-02-10T11:43:22,755 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz' 2026-02-10T11:43:22,757 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz' 2026-02-10T11:43:22,758 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz' 2026-02-10T11:43:22,759 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz' 2026-02-10T11:43:22,761 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz' 2026-02-10T11:43:22,762 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz' 2026-02-10T11:43:22,763 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz' 2026-02-10T11:43:22,765 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz' 2026-02-10T11:43:22,766 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz' 2026-02-10T11:43:22,767 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz' 2026-02-10T11:43:22,768 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz' 2026-02-10T11:43:22,769 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz' 2026-02-10T11:43:22,770 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz' 2026-02-10T11:43:22,772 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz' 2026-02-10T11:43:22,773 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz' 2026-02-10T11:43:22,775 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz' 2026-02-10T11:43:22,776 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz' 2026-02-10T11:43:22,777 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz' 2026-02-10T11:43:22,778 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz' 2026-02-10T11:43:22,780 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz' 2026-02-10T11:43:22,781 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz' 2026-02-10T11:43:22,782 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz' 2026-02-10T11:43:22,783 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz' 2026-02-10T11:43:22,784 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz' 2026-02-10T11:43:22,786 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz' 2026-02-10T11:43:22,787 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz' 2026-02-10T11:43:22,788 adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz' 2026-02-10T11:43:22,796 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz' 2026-02-10T11:43:22,797 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz' 2026-02-10T11:43:22,798 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz' 2026-02-10T11:43:22,800 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz' 2026-02-10T11:43:22,801 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz' 2026-02-10T11:43:22,803 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz' 2026-02-10T11:43:22,804 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz' 2026-02-10T11:43:22,805 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz' 2026-02-10T11:43:22,807 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz' 2026-02-10T11:43:22,808 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz' 2026-02-10T11:43:22,809 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz' 2026-02-10T11:43:22,810 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz' 2026-02-10T11:43:22,811 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz' 2026-02-10T11:43:22,813 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz' 2026-02-10T11:43:22,814 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz' 2026-02-10T11:43:22,815 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz' 2026-02-10T11:43:22,816 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz' 2026-02-10T11:43:22,817 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz' 2026-02-10T11:43:22,818 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz' 2026-02-10T11:43:22,819 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz' 2026-02-10T11:43:22,821 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz' 2026-02-10T11:43:22,822 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz' 2026-02-10T11:43:22,823 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz' 2026-02-10T11:43:22,824 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz' 2026-02-10T11:43:22,825 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz' 2026-02-10T11:43:22,827 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz' 2026-02-10T11:43:22,828 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz' 2026-02-10T11:43:22,829 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz' 2026-02-10T11:43:22,830 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz' 2026-02-10T11:43:22,831 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz' 2026-02-10T11:43:22,832 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz' 2026-02-10T11:43:22,834 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz' 2026-02-10T11:43:22,835 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz' 2026-02-10T11:43:22,836 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz' 2026-02-10T11:43:22,837 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz' 2026-02-10T11:43:22,839 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz' 2026-02-10T11:43:22,840 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz' 2026-02-10T11:43:22,841 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz' 2026-02-10T11:43:22,842 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz' 2026-02-10T11:43:22,844 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz' 2026-02-10T11:43:22,845 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz' 2026-02-10T11:43:22,846 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz' 2026-02-10T11:43:22,848 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz' 2026-02-10T11:43:22,849 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz' 2026-02-10T11:43:22,850 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz' 2026-02-10T11:43:22,851 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz' 2026-02-10T11:43:22,852 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz' 2026-02-10T11:43:22,854 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz' 2026-02-10T11:43:22,855 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz' 2026-02-10T11:43:22,856 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz' 2026-02-10T11:43:22,857 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz' 2026-02-10T11:43:22,858 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz' 2026-02-10T11:43:22,859 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz' 2026-02-10T11:43:22,860 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz' 2026-02-10T11:43:22,861 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz' 2026-02-10T11:43:22,862 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz' 2026-02-10T11:43:22,864 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz' 2026-02-10T11:43:22,865 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz' 2026-02-10T11:43:22,866 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz' 2026-02-10T11:43:22,867 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz' 2026-02-10T11:43:22,869 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz' 2026-02-10T11:43:22,870 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz' 2026-02-10T11:43:22,871 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz' 2026-02-10T11:43:22,872 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz' 2026-02-10T11:43:22,873 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz' 2026-02-10T11:43:22,875 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz' 2026-02-10T11:43:22,876 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz' 2026-02-10T11:43:22,877 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz' 2026-02-10T11:43:22,878 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz' 2026-02-10T11:43:22,879 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz' 2026-02-10T11:43:22,881 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz' 2026-02-10T11:43:22,882 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz' 2026-02-10T11:43:22,883 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz' 2026-02-10T11:43:22,884 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz' 2026-02-10T11:43:22,885 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz' 2026-02-10T11:43:22,887 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz' 2026-02-10T11:43:22,888 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz' 2026-02-10T11:43:22,890 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz' 2026-02-10T11:43:22,892 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz' 2026-02-10T11:43:22,893 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz' 2026-02-10T11:43:22,895 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz' 2026-02-10T11:43:22,898 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz' 2026-02-10T11:43:22,899 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz' 2026-02-10T11:43:22,901 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz' 2026-02-10T11:43:22,902 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz' 2026-02-10T11:43:22,905 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz' 2026-02-10T11:43:22,906 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz' 2026-02-10T11:43:22,908 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz' 2026-02-10T11:43:22,910 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz' 2026-02-10T11:43:22,911 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz' 2026-02-10T11:43:22,914 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz' 2026-02-10T11:43:22,916 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz' 2026-02-10T11:43:22,918 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz' 2026-02-10T11:43:22,920 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz' 2026-02-10T11:43:22,923 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz' 2026-02-10T11:43:22,925 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz' 2026-02-10T11:43:22,927 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz' 2026-02-10T11:43:22,929 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz' 2026-02-10T11:43:22,931 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz' 2026-02-10T11:43:22,933 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz' 2026-02-10T11:43:22,936 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz' 2026-02-10T11:43:22,938 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz' 2026-02-10T11:43:22,940 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz' 2026-02-10T11:43:22,941 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz' 2026-02-10T11:43:22,943 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz' 2026-02-10T11:43:22,944 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz' 2026-02-10T11:43:22,946 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz' 2026-02-10T11:43:22,947 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz' 2026-02-10T11:43:22,949 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz' 2026-02-10T11:43:22,950 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz' 2026-02-10T11:43:22,951 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz' 2026-02-10T11:43:22,953 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz' 2026-02-10T11:43:22,955 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz' 2026-02-10T11:43:22,956 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz' 2026-02-10T11:43:22,959 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz' 2026-02-10T11:43:22,961 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz' 2026-02-10T11:43:22,963 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz' 2026-02-10T11:43:22,964 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz' 2026-02-10T11:43:22,966 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz' 2026-02-10T11:43:22,967 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz' 2026-02-10T11:43:22,969 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz' 2026-02-10T11:43:22,970 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz' 2026-02-10T11:43:22,972 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz' 2026-02-10T11:43:22,973 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz' 2026-02-10T11:43:22,975 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz' 2026-02-10T11:43:22,977 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz' 2026-02-10T11:43:22,978 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz' 2026-02-10T11:43:22,979 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz' 2026-02-10T11:43:22,980 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz' 2026-02-10T11:43:22,981 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz' 2026-02-10T11:43:22,983 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz' 2026-02-10T11:43:22,984 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz' 2026-02-10T11:43:22,985 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz' 2026-02-10T11:43:22,986 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz' 2026-02-10T11:43:22,988 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz' 2026-02-10T11:43:22,989 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz' 2026-02-10T11:43:22,990 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz' 2026-02-10T11:43:22,991 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz' 2026-02-10T11:43:22,993 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz' 2026-02-10T11:43:22,994 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz' 2026-02-10T11:43:22,995 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz' 2026-02-10T11:43:22,997 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz' 2026-02-10T11:43:22,998 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz' 2026-02-10T11:43:22,999 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz' 2026-02-10T11:43:23,000 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz' 2026-02-10T11:43:23,003 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz' 2026-02-10T11:43:23,006 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz' 2026-02-10T11:43:23,008 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz' 2026-02-10T11:43:23,010 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz' 2026-02-10T11:43:23,013 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz' 2026-02-10T11:43:23,015 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz' 2026-02-10T11:43:23,018 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz' 2026-02-10T11:43:23,021 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz' 2026-02-10T11:43:23,024 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz' 2026-02-10T11:43:23,025 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz' 2026-02-10T11:43:23,027 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz' 2026-02-10T11:43:23,030 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz' 2026-02-10T11:43:23,032 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz' 2026-02-10T11:43:23,035 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz' 2026-02-10T11:43:23,038 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz' 2026-02-10T11:43:23,041 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz' 2026-02-10T11:43:23,043 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz' 2026-02-10T11:43:23,046 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz' 2026-02-10T11:43:23,049 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz' 2026-02-10T11:43:23,051 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz' 2026-02-10T11:43:23,053 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz' 2026-02-10T11:43:23,056 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz' 2026-02-10T11:43:23,058 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz' 2026-02-10T11:43:23,059 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz' 2026-02-10T11:43:23,061 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz' 2026-02-10T11:43:23,062 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz' 2026-02-10T11:43:23,063 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz' 2026-02-10T11:43:23,064 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz' 2026-02-10T11:43:23,065 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz' 2026-02-10T11:43:23,066 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz' 2026-02-10T11:43:23,068 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz' 2026-02-10T11:43:23,069 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz' 2026-02-10T11:43:23,070 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz' 2026-02-10T11:43:23,071 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz' 2026-02-10T11:43:23,073 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz' 2026-02-10T11:43:23,074 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz' 2026-02-10T11:43:23,075 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz' 2026-02-10T11:43:23,077 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz' 2026-02-10T11:43:23,078 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz' 2026-02-10T11:43:23,079 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz' 2026-02-10T11:43:23,080 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz' 2026-02-10T11:43:23,082 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz' 2026-02-10T11:43:23,083 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz' 2026-02-10T11:43:23,084 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz' 2026-02-10T11:43:23,085 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz' 2026-02-10T11:43:23,086 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz' 2026-02-10T11:43:23,088 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz' 2026-02-10T11:43:23,089 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz' 2026-02-10T11:43:23,090 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz' 2026-02-10T11:43:23,091 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz' 2026-02-10T11:43:23,092 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz' 2026-02-10T11:43:23,094 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz' 2026-02-10T11:43:23,095 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz' 2026-02-10T11:43:23,096 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz' 2026-02-10T11:43:23,098 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz' 2026-02-10T11:43:23,099 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz' 2026-02-10T11:43:23,100 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz' 2026-02-10T11:43:23,102 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz' 2026-02-10T11:43:23,103 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz' 2026-02-10T11:43:23,104 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz' 2026-02-10T11:43:23,105 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz' 2026-02-10T11:43:23,106 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz' 2026-02-10T11:43:23,107 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz' 2026-02-10T11:43:23,109 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz' 2026-02-10T11:43:23,110 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz' 2026-02-10T11:43:23,111 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz' 2026-02-10T11:43:23,112 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz' 2026-02-10T11:43:23,113 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz' 2026-02-10T11:43:23,115 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz' 2026-02-10T11:43:23,116 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz' 2026-02-10T11:43:23,117 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz' 2026-02-10T11:43:23,119 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz' 2026-02-10T11:43:23,120 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz' 2026-02-10T11:43:23,121 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz' 2026-02-10T11:43:23,123 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz' 2026-02-10T11:43:23,124 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz' 2026-02-10T11:43:23,125 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz' 2026-02-10T11:43:23,126 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz' 2026-02-10T11:43:23,127 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz' 2026-02-10T11:43:23,129 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz' 2026-02-10T11:43:23,130 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz' 2026-02-10T11:43:23,131 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz' 2026-02-10T11:43:23,133 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz' 2026-02-10T11:43:23,134 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz' 2026-02-10T11:43:23,135 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz' 2026-02-10T11:43:23,137 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz' 2026-02-10T11:43:23,138 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz' 2026-02-10T11:43:23,139 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz' 2026-02-10T11:43:23,141 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz' 2026-02-10T11:43:23,142 adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz' 2026-02-10T11:43:23,145 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz' 2026-02-10T11:43:23,146 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz' 2026-02-10T11:43:23,148 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:23,149 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:23,150 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:23,152 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz' 2026-02-10T11:43:23,153 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz' 2026-02-10T11:43:23,154 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz' 2026-02-10T11:43:23,156 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz' 2026-02-10T11:43:23,157 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz' 2026-02-10T11:43:23,158 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:23,160 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:23,161 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:23,163 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz' 2026-02-10T11:43:23,164 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz' 2026-02-10T11:43:23,165 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz' 2026-02-10T11:43:23,167 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz' 2026-02-10T11:43:23,168 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz' 2026-02-10T11:43:23,169 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz' 2026-02-10T11:43:23,171 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz' 2026-02-10T11:43:23,172 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz' 2026-02-10T11:43:23,173 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz' 2026-02-10T11:43:23,174 adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz' 2026-02-10T11:43:23,177 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,178 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,179 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,181 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,182 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,183 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,185 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,186 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,187 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,189 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,190 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,191 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,193 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,194 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,195 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,196 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,198 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,199 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,200 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,201 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,202 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,204 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,205 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,206 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,207 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,208 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,209 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,211 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,212 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,213 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,214 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,216 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,217 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,218 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,220 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,221 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,222 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,223 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,225 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,226 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,227 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,229 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,230 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,231 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,233 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,234 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,235 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,236 adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz' 2026-02-10T11:43:23,240 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz' 2026-02-10T11:43:23,241 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz' 2026-02-10T11:43:23,242 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz' 2026-02-10T11:43:23,243 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz' 2026-02-10T11:43:23,244 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz' 2026-02-10T11:43:23,245 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz' 2026-02-10T11:43:23,246 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz' 2026-02-10T11:43:23,248 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz' 2026-02-10T11:43:23,249 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz' 2026-02-10T11:43:23,250 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz' 2026-02-10T11:43:23,252 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz' 2026-02-10T11:43:23,253 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz' 2026-02-10T11:43:23,254 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz' 2026-02-10T11:43:23,255 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz' 2026-02-10T11:43:23,257 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz' 2026-02-10T11:43:23,258 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz' 2026-02-10T11:43:23,259 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz' 2026-02-10T11:43:23,260 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz' 2026-02-10T11:43:23,262 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz' 2026-02-10T11:43:23,263 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz' 2026-02-10T11:43:23,264 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz' 2026-02-10T11:43:23,265 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz' 2026-02-10T11:43:23,266 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz' 2026-02-10T11:43:23,268 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz' 2026-02-10T11:43:23,269 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz' 2026-02-10T11:43:23,270 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz' 2026-02-10T11:43:23,272 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz' 2026-02-10T11:43:23,273 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz' 2026-02-10T11:43:23,274 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz' 2026-02-10T11:43:23,275 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz' 2026-02-10T11:43:23,277 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz' 2026-02-10T11:43:23,278 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz' 2026-02-10T11:43:23,279 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz' 2026-02-10T11:43:23,281 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz' 2026-02-10T11:43:23,282 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz' 2026-02-10T11:43:23,284 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz' 2026-02-10T11:43:23,285 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz' 2026-02-10T11:43:23,286 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz' 2026-02-10T11:43:23,287 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz' 2026-02-10T11:43:23,288 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz' 2026-02-10T11:43:23,290 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz' 2026-02-10T11:43:23,291 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz' 2026-02-10T11:43:23,292 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz' 2026-02-10T11:43:23,293 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz' 2026-02-10T11:43:23,295 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz' 2026-02-10T11:43:23,296 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz' 2026-02-10T11:43:23,297 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz' 2026-02-10T11:43:23,298 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz' 2026-02-10T11:43:23,300 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz' 2026-02-10T11:43:23,301 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz' 2026-02-10T11:43:23,302 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz' 2026-02-10T11:43:23,303 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz' 2026-02-10T11:43:23,305 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz' 2026-02-10T11:43:23,306 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz' 2026-02-10T11:43:23,307 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz' 2026-02-10T11:43:23,308 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz' 2026-02-10T11:43:23,309 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz' 2026-02-10T11:43:23,310 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz' 2026-02-10T11:43:23,312 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz' 2026-02-10T11:43:23,313 adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz' 2026-02-10T11:43:23,316 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz' 2026-02-10T11:43:23,317 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz' 2026-02-10T11:43:23,319 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz' 2026-02-10T11:43:23,320 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz' 2026-02-10T11:43:23,321 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz' 2026-02-10T11:43:23,322 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz' 2026-02-10T11:43:23,323 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz' 2026-02-10T11:43:23,325 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz' 2026-02-10T11:43:23,326 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz' 2026-02-10T11:43:23,327 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz' 2026-02-10T11:43:23,329 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz' 2026-02-10T11:43:23,330 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz' 2026-02-10T11:43:23,331 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz' 2026-02-10T11:43:23,333 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz' 2026-02-10T11:43:23,334 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz' 2026-02-10T11:43:23,335 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz' 2026-02-10T11:43:23,337 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz' 2026-02-10T11:43:23,338 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz' 2026-02-10T11:43:23,340 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz' 2026-02-10T11:43:23,341 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz' 2026-02-10T11:43:23,342 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz' 2026-02-10T11:43:23,344 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz' 2026-02-10T11:43:23,345 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz' 2026-02-10T11:43:23,346 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz' 2026-02-10T11:43:23,348 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz' 2026-02-10T11:43:23,349 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz' 2026-02-10T11:43:23,350 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz' 2026-02-10T11:43:23,351 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz' 2026-02-10T11:43:23,353 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz' 2026-02-10T11:43:23,354 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz' 2026-02-10T11:43:23,355 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz' 2026-02-10T11:43:23,356 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz' 2026-02-10T11:43:23,358 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz' 2026-02-10T11:43:23,359 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz' 2026-02-10T11:43:23,360 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz' 2026-02-10T11:43:23,362 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz' 2026-02-10T11:43:23,363 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz' 2026-02-10T11:43:23,364 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz' 2026-02-10T11:43:23,366 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz' 2026-02-10T11:43:23,367 adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz' 2026-02-10T11:43:23,370 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz' 2026-02-10T11:43:23,371 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz' 2026-02-10T11:43:23,372 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz' 2026-02-10T11:43:23,374 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz' 2026-02-10T11:43:23,375 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz' 2026-02-10T11:43:23,376 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz' 2026-02-10T11:43:23,377 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz' 2026-02-10T11:43:23,379 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz' 2026-02-10T11:43:23,380 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz' 2026-02-10T11:43:23,381 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz' 2026-02-10T11:43:23,382 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz' 2026-02-10T11:43:23,384 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz' 2026-02-10T11:43:23,385 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz' 2026-02-10T11:43:23,386 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz' 2026-02-10T11:43:23,387 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz' 2026-02-10T11:43:23,389 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz' 2026-02-10T11:43:23,390 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz' 2026-02-10T11:43:23,391 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz' 2026-02-10T11:43:23,393 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz' 2026-02-10T11:43:23,394 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz' 2026-02-10T11:43:23,395 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz' 2026-02-10T11:43:23,397 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz' 2026-02-10T11:43:23,399 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz' 2026-02-10T11:43:23,400 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz' 2026-02-10T11:43:23,401 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz' 2026-02-10T11:43:23,402 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz' 2026-02-10T11:43:23,404 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz' 2026-02-10T11:43:23,405 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz' 2026-02-10T11:43:23,406 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz' 2026-02-10T11:43:23,408 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz' 2026-02-10T11:43:23,409 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz' 2026-02-10T11:43:23,410 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz' 2026-02-10T11:43:23,411 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz' 2026-02-10T11:43:23,412 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz' 2026-02-10T11:43:23,414 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz' 2026-02-10T11:43:23,415 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz' 2026-02-10T11:43:23,416 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz' 2026-02-10T11:43:23,417 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz' 2026-02-10T11:43:23,419 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz' 2026-02-10T11:43:23,420 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz' 2026-02-10T11:43:23,421 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz' 2026-02-10T11:43:23,422 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz' 2026-02-10T11:43:23,424 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz' 2026-02-10T11:43:23,425 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz' 2026-02-10T11:43:23,426 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz' 2026-02-10T11:43:23,427 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz' 2026-02-10T11:43:23,429 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz' 2026-02-10T11:43:23,430 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz' 2026-02-10T11:43:23,431 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz' 2026-02-10T11:43:23,432 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz' 2026-02-10T11:43:23,434 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz' 2026-02-10T11:43:23,435 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz' 2026-02-10T11:43:23,436 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz' 2026-02-10T11:43:23,437 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz' 2026-02-10T11:43:23,439 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz' 2026-02-10T11:43:23,440 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz' 2026-02-10T11:43:23,441 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz' 2026-02-10T11:43:23,443 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz' 2026-02-10T11:43:23,444 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz' 2026-02-10T11:43:23,445 adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz' 2026-02-10T11:43:23,447 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz' 2026-02-10T11:43:23,448 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz' 2026-02-10T11:43:23,449 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz' 2026-02-10T11:43:23,451 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz' 2026-02-10T11:43:23,452 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz' 2026-02-10T11:43:23,453 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz' 2026-02-10T11:43:23,454 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz' 2026-02-10T11:43:23,456 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz' 2026-02-10T11:43:23,457 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz' 2026-02-10T11:43:23,458 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz' 2026-02-10T11:43:23,460 adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz' 2026-02-10T11:43:23,463 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz' 2026-02-10T11:43:23,464 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz' 2026-02-10T11:43:23,466 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz' 2026-02-10T11:43:23,467 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz' 2026-02-10T11:43:23,468 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz' 2026-02-10T11:43:23,469 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz' 2026-02-10T11:43:23,470 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz' 2026-02-10T11:43:23,472 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz' 2026-02-10T11:43:23,473 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz' 2026-02-10T11:43:23,475 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz' 2026-02-10T11:43:23,476 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz' 2026-02-10T11:43:23,477 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz' 2026-02-10T11:43:23,479 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz' 2026-02-10T11:43:23,480 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz' 2026-02-10T11:43:23,481 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz' 2026-02-10T11:43:23,482 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz' 2026-02-10T11:43:23,483 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz' 2026-02-10T11:43:23,484 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz' 2026-02-10T11:43:23,485 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz' 2026-02-10T11:43:23,486 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz' 2026-02-10T11:43:23,487 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz' 2026-02-10T11:43:23,489 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz' 2026-02-10T11:43:23,490 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz' 2026-02-10T11:43:23,491 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz' 2026-02-10T11:43:23,493 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz' 2026-02-10T11:43:23,494 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz' 2026-02-10T11:43:23,495 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz' 2026-02-10T11:43:23,497 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz' 2026-02-10T11:43:23,498 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz' 2026-02-10T11:43:23,499 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz' 2026-02-10T11:43:23,500 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz' 2026-02-10T11:43:23,501 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz' 2026-02-10T11:43:23,502 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz' 2026-02-10T11:43:23,504 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz' 2026-02-10T11:43:23,505 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz' 2026-02-10T11:43:23,506 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz' 2026-02-10T11:43:23,507 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz' 2026-02-10T11:43:23,508 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz' 2026-02-10T11:43:23,509 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz' 2026-02-10T11:43:23,510 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz' 2026-02-10T11:43:23,511 adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz' 2026-02-10T11:43:23,516 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz' 2026-02-10T11:43:23,517 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz' 2026-02-10T11:43:23,518 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz' 2026-02-10T11:43:23,520 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz' 2026-02-10T11:43:23,521 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz' 2026-02-10T11:43:23,523 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz' 2026-02-10T11:43:23,524 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz' 2026-02-10T11:43:23,525 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz' 2026-02-10T11:43:23,527 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz' 2026-02-10T11:43:23,528 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz' 2026-02-10T11:43:23,530 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz' 2026-02-10T11:43:23,531 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz' 2026-02-10T11:43:23,532 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz' 2026-02-10T11:43:23,534 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz' 2026-02-10T11:43:23,535 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz' 2026-02-10T11:43:23,536 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz' 2026-02-10T11:43:23,537 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz' 2026-02-10T11:43:23,539 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz' 2026-02-10T11:43:23,540 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz' 2026-02-10T11:43:23,541 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz' 2026-02-10T11:43:23,542 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz' 2026-02-10T11:43:23,543 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz' 2026-02-10T11:43:23,544 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz' 2026-02-10T11:43:23,545 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz' 2026-02-10T11:43:23,546 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz' 2026-02-10T11:43:23,547 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz' 2026-02-10T11:43:23,549 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz' 2026-02-10T11:43:23,550 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz' 2026-02-10T11:43:23,551 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz' 2026-02-10T11:43:23,553 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz' 2026-02-10T11:43:23,554 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz' 2026-02-10T11:43:23,555 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz' 2026-02-10T11:43:23,556 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz' 2026-02-10T11:43:23,557 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz' 2026-02-10T11:43:23,558 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz' 2026-02-10T11:43:23,560 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz' 2026-02-10T11:43:23,561 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz' 2026-02-10T11:43:23,562 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz' 2026-02-10T11:43:23,563 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz' 2026-02-10T11:43:23,565 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz' 2026-02-10T11:43:23,566 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz' 2026-02-10T11:43:23,567 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz' 2026-02-10T11:43:23,569 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz' 2026-02-10T11:43:23,570 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz' 2026-02-10T11:43:23,572 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz' 2026-02-10T11:43:23,573 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz' 2026-02-10T11:43:23,575 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz' 2026-02-10T11:43:23,576 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz' 2026-02-10T11:43:23,577 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz' 2026-02-10T11:43:23,579 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz' 2026-02-10T11:43:23,580 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz' 2026-02-10T11:43:23,581 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz' 2026-02-10T11:43:23,582 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz' 2026-02-10T11:43:23,583 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz' 2026-02-10T11:43:23,585 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz' 2026-02-10T11:43:23,586 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz' 2026-02-10T11:43:23,587 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz' 2026-02-10T11:43:23,589 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz' 2026-02-10T11:43:23,590 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz' 2026-02-10T11:43:23,591 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz' 2026-02-10T11:43:23,592 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz' 2026-02-10T11:43:23,594 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz' 2026-02-10T11:43:23,595 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz' 2026-02-10T11:43:23,596 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz' 2026-02-10T11:43:23,597 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz' 2026-02-10T11:43:23,599 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz' 2026-02-10T11:43:23,600 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz' 2026-02-10T11:43:23,601 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz' 2026-02-10T11:43:23,602 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz' 2026-02-10T11:43:23,603 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz' 2026-02-10T11:43:23,604 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz' 2026-02-10T11:43:23,606 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz' 2026-02-10T11:43:23,607 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz' 2026-02-10T11:43:23,608 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz' 2026-02-10T11:43:23,610 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz' 2026-02-10T11:43:23,611 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz' 2026-02-10T11:43:23,612 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz' 2026-02-10T11:43:23,614 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz' 2026-02-10T11:43:23,615 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz' 2026-02-10T11:43:23,617 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz' 2026-02-10T11:43:23,618 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz' 2026-02-10T11:43:23,619 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz' 2026-02-10T11:43:23,620 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz' 2026-02-10T11:43:23,622 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz' 2026-02-10T11:43:23,623 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz' 2026-02-10T11:43:23,624 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz' 2026-02-10T11:43:23,625 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz' 2026-02-10T11:43:23,626 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz' 2026-02-10T11:43:23,628 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz' 2026-02-10T11:43:23,629 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz' 2026-02-10T11:43:23,630 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz' 2026-02-10T11:43:23,631 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz' 2026-02-10T11:43:23,633 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz' 2026-02-10T11:43:23,634 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz' 2026-02-10T11:43:23,635 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz' 2026-02-10T11:43:23,637 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz' 2026-02-10T11:43:23,638 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz' 2026-02-10T11:43:23,639 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz' 2026-02-10T11:43:23,640 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz' 2026-02-10T11:43:23,642 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz' 2026-02-10T11:43:23,643 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz' 2026-02-10T11:43:23,644 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz' 2026-02-10T11:43:23,646 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz' 2026-02-10T11:43:23,647 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz' 2026-02-10T11:43:23,648 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz' 2026-02-10T11:43:23,649 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz' 2026-02-10T11:43:23,651 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz' 2026-02-10T11:43:23,652 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz' 2026-02-10T11:43:23,653 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz' 2026-02-10T11:43:23,654 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz' 2026-02-10T11:43:23,655 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz' 2026-02-10T11:43:23,657 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz' 2026-02-10T11:43:23,658 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz' 2026-02-10T11:43:23,660 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz' 2026-02-10T11:43:23,661 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz' 2026-02-10T11:43:23,662 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz' 2026-02-10T11:43:23,663 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz' 2026-02-10T11:43:23,665 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz' 2026-02-10T11:43:23,666 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz' 2026-02-10T11:43:23,668 adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz' 2026-02-10T11:43:23,670 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz' 2026-02-10T11:43:23,671 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz' 2026-02-10T11:43:23,672 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz' 2026-02-10T11:43:23,674 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz' 2026-02-10T11:43:23,675 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz' 2026-02-10T11:43:23,676 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz' 2026-02-10T11:43:23,677 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz' 2026-02-10T11:43:23,678 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz' 2026-02-10T11:43:23,680 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz' 2026-02-10T11:43:23,681 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz' 2026-02-10T11:43:23,682 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz' 2026-02-10T11:43:23,683 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz' 2026-02-10T11:43:23,684 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz' 2026-02-10T11:43:23,685 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz' 2026-02-10T11:43:23,687 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz' 2026-02-10T11:43:23,688 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz' 2026-02-10T11:43:23,689 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz' 2026-02-10T11:43:23,690 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz' 2026-02-10T11:43:23,692 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz' 2026-02-10T11:43:23,693 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz' 2026-02-10T11:43:23,694 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz' 2026-02-10T11:43:23,695 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz' 2026-02-10T11:43:23,696 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz' 2026-02-10T11:43:23,698 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz' 2026-02-10T11:43:23,699 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz' 2026-02-10T11:43:23,700 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz' 2026-02-10T11:43:23,701 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz' 2026-02-10T11:43:23,702 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz' 2026-02-10T11:43:23,704 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz' 2026-02-10T11:43:23,705 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz' 2026-02-10T11:43:23,706 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz' 2026-02-10T11:43:23,707 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz' 2026-02-10T11:43:23,708 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz' 2026-02-10T11:43:23,709 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz' 2026-02-10T11:43:23,710 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz' 2026-02-10T11:43:23,711 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz' 2026-02-10T11:43:23,712 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz' 2026-02-10T11:43:23,713 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz' 2026-02-10T11:43:23,715 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz' 2026-02-10T11:43:23,716 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz' 2026-02-10T11:43:23,717 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz' 2026-02-10T11:43:23,718 adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz' 2026-02-10T11:43:23,721 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz' 2026-02-10T11:43:23,722 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz' 2026-02-10T11:43:23,723 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz' 2026-02-10T11:43:23,724 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz' 2026-02-10T11:43:23,725 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz' 2026-02-10T11:43:23,726 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz' 2026-02-10T11:43:23,727 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz' 2026-02-10T11:43:23,729 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz' 2026-02-10T11:43:23,730 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz' 2026-02-10T11:43:23,731 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz' 2026-02-10T11:43:23,732 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz' 2026-02-10T11:43:23,733 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz' 2026-02-10T11:43:23,734 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz' 2026-02-10T11:43:23,735 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz' 2026-02-10T11:43:23,737 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz' 2026-02-10T11:43:23,738 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz' 2026-02-10T11:43:23,739 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz' 2026-02-10T11:43:23,740 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz' 2026-02-10T11:43:23,742 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz' 2026-02-10T11:43:23,743 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz' 2026-02-10T11:43:23,744 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz' 2026-02-10T11:43:23,746 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz' 2026-02-10T11:43:23,747 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz' 2026-02-10T11:43:23,748 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz' 2026-02-10T11:43:23,749 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz' 2026-02-10T11:43:23,750 adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz' 2026-02-10T11:43:23,753 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz' 2026-02-10T11:43:23,754 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz' 2026-02-10T11:43:23,755 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz' 2026-02-10T11:43:23,757 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz' 2026-02-10T11:43:23,758 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz' 2026-02-10T11:43:23,759 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz' 2026-02-10T11:43:23,761 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz' 2026-02-10T11:43:23,762 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz' 2026-02-10T11:43:23,763 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz' 2026-02-10T11:43:23,764 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz' 2026-02-10T11:43:23,765 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz' 2026-02-10T11:43:23,767 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz' 2026-02-10T11:43:23,768 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz' 2026-02-10T11:43:23,769 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz' 2026-02-10T11:43:23,770 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz' 2026-02-10T11:43:23,772 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz' 2026-02-10T11:43:23,773 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz' 2026-02-10T11:43:23,774 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz' 2026-02-10T11:43:23,775 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz' 2026-02-10T11:43:23,776 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz' 2026-02-10T11:43:23,777 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz' 2026-02-10T11:43:23,779 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz' 2026-02-10T11:43:23,780 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz' 2026-02-10T11:43:23,781 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz' 2026-02-10T11:43:23,783 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz' 2026-02-10T11:43:23,784 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz' 2026-02-10T11:43:23,785 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz' 2026-02-10T11:43:23,787 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz' 2026-02-10T11:43:23,788 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz' 2026-02-10T11:43:23,789 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz' 2026-02-10T11:43:23,791 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz' 2026-02-10T11:43:23,792 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz' 2026-02-10T11:43:23,793 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz' 2026-02-10T11:43:23,795 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz' 2026-02-10T11:43:23,796 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz' 2026-02-10T11:43:23,797 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz' 2026-02-10T11:43:23,798 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz' 2026-02-10T11:43:23,799 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz' 2026-02-10T11:43:23,801 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz' 2026-02-10T11:43:23,802 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz' 2026-02-10T11:43:23,803 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz' 2026-02-10T11:43:23,805 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz' 2026-02-10T11:43:23,806 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz' 2026-02-10T11:43:23,807 adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz' 2026-02-10T11:43:23,812 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz' 2026-02-10T11:43:23,813 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,814 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,815 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,816 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,817 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,818 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,819 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,821 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,822 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,823 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,825 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,826 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz' 2026-02-10T11:43:23,828 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,829 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,830 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,831 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,832 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,834 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,835 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,836 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,837 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,839 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,840 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,841 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz' 2026-02-10T11:43:23,842 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,843 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,845 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,846 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,847 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,848 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,850 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,851 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,852 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,853 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,855 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,856 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz' 2026-02-10T11:43:23,857 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,858 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,859 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,861 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,862 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,863 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,865 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,866 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,867 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,868 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,869 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,870 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz' 2026-02-10T11:43:23,871 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,873 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,874 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,875 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,877 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,878 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,879 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,880 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,881 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,882 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,883 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,885 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz' 2026-02-10T11:43:23,886 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,887 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,888 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,890 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,891 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,892 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,894 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,895 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,896 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,898 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,899 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,900 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz' 2026-02-10T11:43:23,901 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,903 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,904 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,905 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,906 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,908 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,909 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,910 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,911 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,912 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,913 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,915 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz' 2026-02-10T11:43:23,916 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,917 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,918 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,920 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,921 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,922 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,924 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,925 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,926 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,928 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,929 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,930 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz' 2026-02-10T11:43:23,932 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,933 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,934 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,935 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,936 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,938 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,939 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,940 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,941 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,943 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,944 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,945 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz' 2026-02-10T11:43:23,947 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz' 2026-02-10T11:43:23,948 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz' 2026-02-10T11:43:23,950 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz' 2026-02-10T11:43:23,951 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz' 2026-02-10T11:43:23,953 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz' 2026-02-10T11:43:23,954 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz' 2026-02-10T11:43:23,955 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz' 2026-02-10T11:43:23,957 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz' 2026-02-10T11:43:23,958 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz' 2026-02-10T11:43:23,959 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz' 2026-02-10T11:43:23,960 adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz' 2026-02-10T11:43:23,963 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz' 2026-02-10T11:43:23,965 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz' 2026-02-10T11:43:23,966 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz' 2026-02-10T11:43:23,967 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz' 2026-02-10T11:43:23,969 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz' 2026-02-10T11:43:23,970 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz' 2026-02-10T11:43:23,971 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz' 2026-02-10T11:43:23,972 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz' 2026-02-10T11:43:23,973 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz' 2026-02-10T11:43:23,974 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz' 2026-02-10T11:43:23,975 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz' 2026-02-10T11:43:23,977 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz' 2026-02-10T11:43:23,978 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz' 2026-02-10T11:43:23,979 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz' 2026-02-10T11:43:23,980 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz' 2026-02-10T11:43:23,982 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz' 2026-02-10T11:43:23,983 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz' 2026-02-10T11:43:23,984 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz' 2026-02-10T11:43:23,985 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz' 2026-02-10T11:43:23,986 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz' 2026-02-10T11:43:23,988 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz' 2026-02-10T11:43:23,989 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz' 2026-02-10T11:43:23,990 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz' 2026-02-10T11:43:23,991 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz' 2026-02-10T11:43:23,993 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz' 2026-02-10T11:43:23,994 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz' 2026-02-10T11:43:23,995 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz' 2026-02-10T11:43:23,996 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz' 2026-02-10T11:43:23,998 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz' 2026-02-10T11:43:23,999 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz' 2026-02-10T11:43:24,000 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz' 2026-02-10T11:43:24,001 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz' 2026-02-10T11:43:24,003 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz' 2026-02-10T11:43:24,004 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz' 2026-02-10T11:43:24,005 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz' 2026-02-10T11:43:24,007 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz' 2026-02-10T11:43:24,008 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz' 2026-02-10T11:43:24,009 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz' 2026-02-10T11:43:24,010 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz' 2026-02-10T11:43:24,011 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz' 2026-02-10T11:43:24,012 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz' 2026-02-10T11:43:24,014 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz' 2026-02-10T11:43:24,015 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz' 2026-02-10T11:43:24,016 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz' 2026-02-10T11:43:24,017 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz' 2026-02-10T11:43:24,018 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz' 2026-02-10T11:43:24,020 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz' 2026-02-10T11:43:24,021 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz' 2026-02-10T11:43:24,022 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz' 2026-02-10T11:43:24,023 adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz' 2026-02-10T11:43:24,026 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz' 2026-02-10T11:43:24,027 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz' 2026-02-10T11:43:24,028 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz' 2026-02-10T11:43:24,029 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz' 2026-02-10T11:43:24,030 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz' 2026-02-10T11:43:24,032 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz' 2026-02-10T11:43:24,033 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz' 2026-02-10T11:43:24,034 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz' 2026-02-10T11:43:24,035 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz' 2026-02-10T11:43:24,037 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz' 2026-02-10T11:43:24,038 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz' 2026-02-10T11:43:24,039 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz' 2026-02-10T11:43:24,041 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz' 2026-02-10T11:43:24,042 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz' 2026-02-10T11:43:24,043 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz' 2026-02-10T11:43:24,044 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz' 2026-02-10T11:43:24,045 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz' 2026-02-10T11:43:24,046 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz' 2026-02-10T11:43:24,047 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz' 2026-02-10T11:43:24,049 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz' 2026-02-10T11:43:24,050 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz' 2026-02-10T11:43:24,051 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz' 2026-02-10T11:43:24,052 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz' 2026-02-10T11:43:24,054 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz' 2026-02-10T11:43:24,055 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz' 2026-02-10T11:43:24,056 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz' 2026-02-10T11:43:24,057 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz' 2026-02-10T11:43:24,059 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz' 2026-02-10T11:43:24,060 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz' 2026-02-10T11:43:24,061 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz' 2026-02-10T11:43:24,063 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz' 2026-02-10T11:43:24,064 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz' 2026-02-10T11:43:24,065 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz' 2026-02-10T11:43:24,066 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz' 2026-02-10T11:43:24,068 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz' 2026-02-10T11:43:24,069 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz' 2026-02-10T11:43:24,071 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz' 2026-02-10T11:43:24,072 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz' 2026-02-10T11:43:24,073 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz' 2026-02-10T11:43:24,074 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz' 2026-02-10T11:43:24,075 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz' 2026-02-10T11:43:24,077 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz' 2026-02-10T11:43:24,078 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz' 2026-02-10T11:43:24,079 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz' 2026-02-10T11:43:24,081 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz' 2026-02-10T11:43:24,082 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz' 2026-02-10T11:43:24,083 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz' 2026-02-10T11:43:24,084 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz' 2026-02-10T11:43:24,086 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz' 2026-02-10T11:43:24,087 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz' 2026-02-10T11:43:24,088 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz' 2026-02-10T11:43:24,089 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz' 2026-02-10T11:43:24,091 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz' 2026-02-10T11:43:24,092 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz' 2026-02-10T11:43:24,093 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz' 2026-02-10T11:43:24,094 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz' 2026-02-10T11:43:24,096 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz' 2026-02-10T11:43:24,097 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz' 2026-02-10T11:43:24,098 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz' 2026-02-10T11:43:24,099 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz' 2026-02-10T11:43:24,101 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz' 2026-02-10T11:43:24,102 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz' 2026-02-10T11:43:24,103 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz' 2026-02-10T11:43:24,104 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz' 2026-02-10T11:43:24,105 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz' 2026-02-10T11:43:24,106 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz' 2026-02-10T11:43:24,108 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz' 2026-02-10T11:43:24,109 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz' 2026-02-10T11:43:24,110 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz' 2026-02-10T11:43:24,111 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz' 2026-02-10T11:43:24,112 adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz' 2026-02-10T11:43:24,114 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz' 2026-02-10T11:43:24,116 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz' 2026-02-10T11:43:24,117 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz' 2026-02-10T11:43:24,119 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz' 2026-02-10T11:43:24,120 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz' 2026-02-10T11:43:24,127 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz' 2026-02-10T11:43:24,128 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,129 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,131 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,132 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,133 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,135 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,136 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,137 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,139 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,140 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,141 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,142 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,143 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,144 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,145 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,147 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,148 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,149 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,150 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,151 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,152 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz' 2026-02-10T11:43:24,154 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,155 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,156 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,157 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,158 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,160 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,161 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,162 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,163 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,164 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,166 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,167 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,168 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,169 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,170 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,171 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,173 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,174 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,175 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,176 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,178 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz' 2026-02-10T11:43:24,179 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,180 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,182 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,183 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,184 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,186 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,187 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,188 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,189 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,190 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,191 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,192 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,194 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,195 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,196 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,197 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,198 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,200 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,201 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,202 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,203 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz' 2026-02-10T11:43:24,205 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,206 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,207 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,208 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,210 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,211 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,212 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,214 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,215 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,216 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,217 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,218 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,220 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,221 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,222 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,223 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,224 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,226 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,227 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,228 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,229 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz' 2026-02-10T11:43:24,230 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,231 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,232 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,233 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,234 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,236 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,237 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,238 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,239 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,240 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,241 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,243 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,244 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,245 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,246 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,247 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,248 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,250 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,251 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,252 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,253 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz' 2026-02-10T11:43:24,255 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,256 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,257 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,258 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,259 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,261 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,262 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,263 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,264 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,265 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,266 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,267 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,269 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,270 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,271 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,272 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,273 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,274 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,275 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,276 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,277 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz' 2026-02-10T11:43:24,278 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,279 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,281 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,282 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,283 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,284 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,285 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,286 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,287 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,289 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,290 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,291 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,292 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,293 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,294 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,296 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,297 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,298 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,299 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,300 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,302 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz' 2026-02-10T11:43:24,303 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,304 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,305 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,306 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,308 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,309 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,310 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,311 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,312 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,313 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,314 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,315 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,316 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,318 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,319 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,320 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,321 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,323 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,324 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,325 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,327 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz' 2026-02-10T11:43:24,329 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,330 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,332 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,333 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,334 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,335 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,336 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,337 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,339 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,340 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,341 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,342 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,343 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,345 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,346 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,347 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,348 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,350 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,351 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,352 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,353 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz' 2026-02-10T11:43:24,355 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,356 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,357 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,359 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,360 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,361 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,362 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,363 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,364 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,366 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,367 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,368 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,369 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,370 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,371 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,372 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,373 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,374 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,376 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,377 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,379 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz' 2026-02-10T11:43:24,380 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz' 2026-02-10T11:43:24,382 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz' 2026-02-10T11:43:24,383 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz' 2026-02-10T11:43:24,384 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz' 2026-02-10T11:43:24,390 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz' 2026-02-10T11:43:24,391 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,393 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,394 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,395 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,396 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,397 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,399 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,400 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,401 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,402 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,403 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,404 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,406 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,407 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,408 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,409 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,410 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,411 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,413 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,414 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,415 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz' 2026-02-10T11:43:24,416 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,418 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,419 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,420 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,421 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,422 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,423 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,424 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,426 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,427 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,428 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,429 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,431 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,432 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,433 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,434 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,435 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,437 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,438 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,439 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,440 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz' 2026-02-10T11:43:24,441 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,443 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,444 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,445 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,446 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,447 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,448 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,449 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,451 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,452 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,453 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,454 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,455 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,457 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,458 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,459 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,460 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,461 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,462 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,464 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,465 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz' 2026-02-10T11:43:24,466 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,467 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,468 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,470 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,471 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,472 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,473 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,474 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,475 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,476 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,478 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,479 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,480 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,481 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,483 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,484 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,485 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,486 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,487 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,489 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,490 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz' 2026-02-10T11:43:24,491 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,492 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,493 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,495 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,496 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,497 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,498 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,499 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,500 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,502 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,503 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,504 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,505 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,507 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,508 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,509 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,511 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,512 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,513 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,514 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,515 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz' 2026-02-10T11:43:24,517 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,518 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,519 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,520 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,521 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,522 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,523 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,525 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,526 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,527 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,528 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,529 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,531 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,532 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,533 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,534 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,535 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,536 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,537 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,539 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,540 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz' 2026-02-10T11:43:24,541 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,542 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,543 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,544 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,545 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,547 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,548 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,549 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,550 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,551 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,553 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,554 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,555 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,556 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,557 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,559 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,560 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,561 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,562 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,563 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,565 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz' 2026-02-10T11:43:24,566 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,567 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,569 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,570 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,571 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,572 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,573 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,575 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,576 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,577 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,578 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,579 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,580 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,581 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,583 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,584 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,585 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,586 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,587 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,589 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,590 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz' 2026-02-10T11:43:24,591 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,592 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,593 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,594 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,596 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,597 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,598 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,599 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,600 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,601 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,602 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,604 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,605 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,606 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,607 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,609 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,610 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,611 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,612 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,613 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,615 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz' 2026-02-10T11:43:24,616 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz' 2026-02-10T11:43:24,617 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz' 2026-02-10T11:43:24,619 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz' 2026-02-10T11:43:24,620 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz' 2026-02-10T11:43:24,621 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz' 2026-02-10T11:43:24,622 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz' 2026-02-10T11:43:24,623 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz' 2026-02-10T11:43:24,625 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz' 2026-02-10T11:43:24,626 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz' 2026-02-10T11:43:24,627 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz' 2026-02-10T11:43:24,628 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz' 2026-02-10T11:43:24,630 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz' 2026-02-10T11:43:24,631 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz' 2026-02-10T11:43:24,631 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz' 2026-02-10T11:43:24,633 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz' 2026-02-10T11:43:24,634 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz' 2026-02-10T11:43:24,635 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz' 2026-02-10T11:43:24,636 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz' 2026-02-10T11:43:24,637 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz' 2026-02-10T11:43:24,638 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz' 2026-02-10T11:43:24,640 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz' 2026-02-10T11:43:24,642 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz' 2026-02-10T11:43:24,643 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz' 2026-02-10T11:43:24,645 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz' 2026-02-10T11:43:24,648 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz' 2026-02-10T11:43:24,649 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,650 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,651 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,652 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,653 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,654 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,656 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz' 2026-02-10T11:43:24,657 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,658 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,659 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,660 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,662 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,663 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,664 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz' 2026-02-10T11:43:24,665 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,666 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,668 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,669 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,670 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,671 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,673 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz' 2026-02-10T11:43:24,674 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,675 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,676 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,677 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,679 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,680 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,681 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz' 2026-02-10T11:43:24,682 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,683 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,684 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,685 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,686 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,687 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,688 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz' 2026-02-10T11:43:24,690 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,691 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,692 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,693 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,694 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,696 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,697 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz' 2026-02-10T11:43:24,698 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,699 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,700 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,702 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,703 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,704 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,705 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz' 2026-02-10T11:43:24,707 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz' 2026-02-10T11:43:24,708 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz' 2026-02-10T11:43:24,709 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz' 2026-02-10T11:43:24,710 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz' 2026-02-10T11:43:24,711 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz' 2026-02-10T11:43:24,712 adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz' 2026-02-10T11:43:24,716 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:24,718 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz' 2026-02-10T11:43:24,719 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz' 2026-02-10T11:43:24,720 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz' 2026-02-10T11:43:24,721 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz' 2026-02-10T11:43:24,723 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz' 2026-02-10T11:43:24,724 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz' 2026-02-10T11:43:24,725 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz' 2026-02-10T11:43:24,726 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz' 2026-02-10T11:43:24,727 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz' 2026-02-10T11:43:24,728 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz' 2026-02-10T11:43:24,729 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz' 2026-02-10T11:43:24,730 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz' 2026-02-10T11:43:24,731 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz' 2026-02-10T11:43:24,733 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz' 2026-02-10T11:43:24,734 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz' 2026-02-10T11:43:24,735 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz' 2026-02-10T11:43:24,736 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz' 2026-02-10T11:43:24,737 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz' 2026-02-10T11:43:24,738 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz' 2026-02-10T11:43:24,740 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz' 2026-02-10T11:43:24,741 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz' 2026-02-10T11:43:24,742 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz' 2026-02-10T11:43:24,743 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz' 2026-02-10T11:43:24,744 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz' 2026-02-10T11:43:24,746 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz' 2026-02-10T11:43:24,747 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz' 2026-02-10T11:43:24,748 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz' 2026-02-10T11:43:24,749 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz' 2026-02-10T11:43:24,750 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz' 2026-02-10T11:43:24,751 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz' 2026-02-10T11:43:24,753 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz' 2026-02-10T11:43:24,754 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz' 2026-02-10T11:43:24,755 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz' 2026-02-10T11:43:24,756 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz' 2026-02-10T11:43:24,757 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz' 2026-02-10T11:43:24,759 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz' 2026-02-10T11:43:24,760 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz' 2026-02-10T11:43:24,761 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz' 2026-02-10T11:43:24,762 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz' 2026-02-10T11:43:24,764 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz' 2026-02-10T11:43:24,765 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz' 2026-02-10T11:43:24,766 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz' 2026-02-10T11:43:24,767 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz' 2026-02-10T11:43:24,768 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz' 2026-02-10T11:43:24,770 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:24,771 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz' 2026-02-10T11:43:24,772 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz' 2026-02-10T11:43:24,773 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz' 2026-02-10T11:43:24,774 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz' 2026-02-10T11:43:24,775 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz' 2026-02-10T11:43:24,777 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz' 2026-02-10T11:43:24,778 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz' 2026-02-10T11:43:24,779 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz' 2026-02-10T11:43:24,781 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz' 2026-02-10T11:43:24,782 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz' 2026-02-10T11:43:24,783 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz' 2026-02-10T11:43:24,784 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz' 2026-02-10T11:43:24,785 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz' 2026-02-10T11:43:24,786 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz' 2026-02-10T11:43:24,787 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz' 2026-02-10T11:43:24,788 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz' 2026-02-10T11:43:24,789 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz' 2026-02-10T11:43:24,791 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz' 2026-02-10T11:43:24,792 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz' 2026-02-10T11:43:24,793 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz' 2026-02-10T11:43:24,795 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz' 2026-02-10T11:43:24,796 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz' 2026-02-10T11:43:24,797 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz' 2026-02-10T11:43:24,798 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz' 2026-02-10T11:43:24,800 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz' 2026-02-10T11:43:24,801 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz' 2026-02-10T11:43:24,802 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz' 2026-02-10T11:43:24,803 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz' 2026-02-10T11:43:24,805 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz' 2026-02-10T11:43:24,806 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz' 2026-02-10T11:43:24,807 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz' 2026-02-10T11:43:24,808 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz' 2026-02-10T11:43:24,809 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz' 2026-02-10T11:43:24,810 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz' 2026-02-10T11:43:24,811 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz' 2026-02-10T11:43:24,812 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz' 2026-02-10T11:43:24,814 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz' 2026-02-10T11:43:24,815 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz' 2026-02-10T11:43:24,816 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz' 2026-02-10T11:43:24,817 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz' 2026-02-10T11:43:24,818 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz' 2026-02-10T11:43:24,820 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz' 2026-02-10T11:43:24,821 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz' 2026-02-10T11:43:24,822 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz' 2026-02-10T11:43:24,823 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz' 2026-02-10T11:43:24,824 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz' 2026-02-10T11:43:24,826 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz' 2026-02-10T11:43:24,827 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz' 2026-02-10T11:43:24,828 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz' 2026-02-10T11:43:24,829 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz' 2026-02-10T11:43:24,831 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz' 2026-02-10T11:43:24,832 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz' 2026-02-10T11:43:24,833 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz' 2026-02-10T11:43:24,834 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz' 2026-02-10T11:43:24,836 adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:24,839 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz' 2026-02-10T11:43:24,840 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz' 2026-02-10T11:43:24,841 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz' 2026-02-10T11:43:24,842 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz' 2026-02-10T11:43:24,843 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz' 2026-02-10T11:43:24,844 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz' 2026-02-10T11:43:24,846 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz' 2026-02-10T11:43:24,847 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz' 2026-02-10T11:43:24,848 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz' 2026-02-10T11:43:24,849 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz' 2026-02-10T11:43:24,850 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz' 2026-02-10T11:43:24,852 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz' 2026-02-10T11:43:24,853 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz' 2026-02-10T11:43:24,854 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz' 2026-02-10T11:43:24,855 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz' 2026-02-10T11:43:24,857 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz' 2026-02-10T11:43:24,858 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz' 2026-02-10T11:43:24,859 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz' 2026-02-10T11:43:24,860 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz' 2026-02-10T11:43:24,862 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz' 2026-02-10T11:43:24,863 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz' 2026-02-10T11:43:24,864 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz' 2026-02-10T11:43:24,865 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz' 2026-02-10T11:43:24,866 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz' 2026-02-10T11:43:24,868 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz' 2026-02-10T11:43:24,870 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz' 2026-02-10T11:43:24,871 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz' 2026-02-10T11:43:24,873 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz' 2026-02-10T11:43:24,874 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz' 2026-02-10T11:43:24,875 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz' 2026-02-10T11:43:24,877 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz' 2026-02-10T11:43:24,878 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz' 2026-02-10T11:43:24,880 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz' 2026-02-10T11:43:24,881 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz' 2026-02-10T11:43:24,882 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz' 2026-02-10T11:43:24,884 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz' 2026-02-10T11:43:24,885 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz' 2026-02-10T11:43:24,886 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz' 2026-02-10T11:43:24,887 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz' 2026-02-10T11:43:24,889 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz' 2026-02-10T11:43:24,890 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz' 2026-02-10T11:43:24,892 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz' 2026-02-10T11:43:24,893 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz' 2026-02-10T11:43:24,894 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz' 2026-02-10T11:43:24,896 adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz' 2026-02-10T11:43:24,900 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz' 2026-02-10T11:43:24,901 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz' 2026-02-10T11:43:24,903 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz' 2026-02-10T11:43:24,904 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz' 2026-02-10T11:43:24,905 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz' 2026-02-10T11:43:24,906 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz' 2026-02-10T11:43:24,907 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz' 2026-02-10T11:43:24,908 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz' 2026-02-10T11:43:24,910 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz' 2026-02-10T11:43:24,911 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz' 2026-02-10T11:43:24,912 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz' 2026-02-10T11:43:24,914 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz' 2026-02-10T11:43:24,915 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz' 2026-02-10T11:43:24,916 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz' 2026-02-10T11:43:24,918 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz' 2026-02-10T11:43:24,919 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz' 2026-02-10T11:43:24,921 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz' 2026-02-10T11:43:24,922 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz' 2026-02-10T11:43:24,924 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz' 2026-02-10T11:43:24,926 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz' 2026-02-10T11:43:24,928 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz' 2026-02-10T11:43:24,930 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz' 2026-02-10T11:43:24,932 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz' 2026-02-10T11:43:24,934 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz' 2026-02-10T11:43:24,936 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz' 2026-02-10T11:43:24,938 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz' 2026-02-10T11:43:24,941 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz' 2026-02-10T11:43:24,943 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz' 2026-02-10T11:43:24,945 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz' 2026-02-10T11:43:24,948 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz' 2026-02-10T11:43:24,950 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz' 2026-02-10T11:43:24,953 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz' 2026-02-10T11:43:24,955 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz' 2026-02-10T11:43:24,957 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz' 2026-02-10T11:43:24,960 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz' 2026-02-10T11:43:24,962 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz' 2026-02-10T11:43:24,965 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz' 2026-02-10T11:43:24,969 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz' 2026-02-10T11:43:24,974 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz' 2026-02-10T11:43:24,978 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz' 2026-02-10T11:43:24,983 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz' 2026-02-10T11:43:24,988 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz' 2026-02-10T11:43:24,993 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz' 2026-02-10T11:43:24,998 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz' 2026-02-10T11:43:25,003 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz' 2026-02-10T11:43:25,007 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz' 2026-02-10T11:43:25,012 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz' 2026-02-10T11:43:25,017 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz' 2026-02-10T11:43:25,021 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz' 2026-02-10T11:43:25,026 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz' 2026-02-10T11:43:25,031 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz' 2026-02-10T11:43:25,036 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz' 2026-02-10T11:43:25,040 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz' 2026-02-10T11:43:25,045 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz' 2026-02-10T11:43:25,050 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz' 2026-02-10T11:43:25,055 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz' 2026-02-10T11:43:25,060 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz' 2026-02-10T11:43:25,064 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz' 2026-02-10T11:43:25,069 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz' 2026-02-10T11:43:25,074 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz' 2026-02-10T11:43:25,079 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz' 2026-02-10T11:43:25,084 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz' 2026-02-10T11:43:25,088 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz' 2026-02-10T11:43:25,092 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz' 2026-02-10T11:43:25,097 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz' 2026-02-10T11:43:25,102 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz' 2026-02-10T11:43:25,103 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz' 2026-02-10T11:43:25,104 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz' 2026-02-10T11:43:25,105 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz' 2026-02-10T11:43:25,107 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz' 2026-02-10T11:43:25,109 adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz' 2026-02-10T11:43:25,111 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz' 2026-02-10T11:43:25,113 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz' 2026-02-10T11:43:25,114 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz' 2026-02-10T11:43:25,115 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz' 2026-02-10T11:43:25,116 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,118 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,119 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz' 2026-02-10T11:43:25,120 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz' 2026-02-10T11:43:25,121 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,123 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,124 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz' 2026-02-10T11:43:25,125 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz' 2026-02-10T11:43:25,127 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,128 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,129 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz' 2026-02-10T11:43:25,130 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,132 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz' 2026-02-10T11:43:25,133 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,134 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,136 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,137 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,139 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,140 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,141 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,143 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,144 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,145 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,147 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz' 2026-02-10T11:43:25,148 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz' 2026-02-10T11:43:25,150 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,151 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,152 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,153 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,155 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,156 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz' 2026-02-10T11:43:25,157 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz' 2026-02-10T11:43:25,158 adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz' 2026-02-10T11:43:25,161 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz' 2026-02-10T11:43:25,162 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz' 2026-02-10T11:43:25,164 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz' 2026-02-10T11:43:25,165 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz' 2026-02-10T11:43:25,166 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz' 2026-02-10T11:43:25,168 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz' 2026-02-10T11:43:25,169 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz' 2026-02-10T11:43:25,170 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz' 2026-02-10T11:43:25,171 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz' 2026-02-10T11:43:25,173 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz' 2026-02-10T11:43:25,174 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz' 2026-02-10T11:43:25,175 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz' 2026-02-10T11:43:25,176 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz' 2026-02-10T11:43:25,178 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz' 2026-02-10T11:43:25,179 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz' 2026-02-10T11:43:25,180 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz' 2026-02-10T11:43:25,182 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz' 2026-02-10T11:43:25,183 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz' 2026-02-10T11:43:25,184 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz' 2026-02-10T11:43:25,185 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz' 2026-02-10T11:43:25,187 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz' 2026-02-10T11:43:25,188 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz' 2026-02-10T11:43:25,189 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz' 2026-02-10T11:43:25,190 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz' 2026-02-10T11:43:25,192 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz' 2026-02-10T11:43:25,193 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz' 2026-02-10T11:43:25,194 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz' 2026-02-10T11:43:25,195 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz' 2026-02-10T11:43:25,196 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz' 2026-02-10T11:43:25,198 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz' 2026-02-10T11:43:25,199 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz' 2026-02-10T11:43:25,200 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz' 2026-02-10T11:43:25,202 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz' 2026-02-10T11:43:25,203 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz' 2026-02-10T11:43:25,204 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz' 2026-02-10T11:43:25,205 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz' 2026-02-10T11:43:25,207 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz' 2026-02-10T11:43:25,208 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz' 2026-02-10T11:43:25,209 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz' 2026-02-10T11:43:25,210 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz' 2026-02-10T11:43:25,212 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz' 2026-02-10T11:43:25,213 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz' 2026-02-10T11:43:25,214 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz' 2026-02-10T11:43:25,215 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz' 2026-02-10T11:43:25,216 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz' 2026-02-10T11:43:25,218 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz' 2026-02-10T11:43:25,219 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz' 2026-02-10T11:43:25,220 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz' 2026-02-10T11:43:25,221 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz' 2026-02-10T11:43:25,223 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz' 2026-02-10T11:43:25,224 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz' 2026-02-10T11:43:25,225 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz' 2026-02-10T11:43:25,226 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz' 2026-02-10T11:43:25,227 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz' 2026-02-10T11:43:25,228 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz' 2026-02-10T11:43:25,229 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz' 2026-02-10T11:43:25,230 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz' 2026-02-10T11:43:25,232 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz' 2026-02-10T11:43:25,233 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz' 2026-02-10T11:43:25,234 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz' 2026-02-10T11:43:25,236 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz' 2026-02-10T11:43:25,237 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz' 2026-02-10T11:43:25,238 adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz' 2026-02-10T11:43:25,241 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz' 2026-02-10T11:43:25,243 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz' 2026-02-10T11:43:25,245 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz' 2026-02-10T11:43:25,246 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz' 2026-02-10T11:43:25,247 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz' 2026-02-10T11:43:25,249 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz' 2026-02-10T11:43:25,250 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz' 2026-02-10T11:43:25,252 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz' 2026-02-10T11:43:25,253 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz' 2026-02-10T11:43:25,254 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz' 2026-02-10T11:43:25,256 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz' 2026-02-10T11:43:25,257 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz' 2026-02-10T11:43:25,259 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz' 2026-02-10T11:43:25,260 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz' 2026-02-10T11:43:25,262 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz' 2026-02-10T11:43:25,263 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz' 2026-02-10T11:43:25,264 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz' 2026-02-10T11:43:25,266 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz' 2026-02-10T11:43:25,267 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz' 2026-02-10T11:43:25,269 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz' 2026-02-10T11:43:25,271 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz' 2026-02-10T11:43:25,272 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz' 2026-02-10T11:43:25,273 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz' 2026-02-10T11:43:25,275 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz' 2026-02-10T11:43:25,277 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz' 2026-02-10T11:43:25,279 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz' 2026-02-10T11:43:25,280 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz' 2026-02-10T11:43:25,282 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz' 2026-02-10T11:43:25,283 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz' 2026-02-10T11:43:25,285 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz' 2026-02-10T11:43:25,286 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz' 2026-02-10T11:43:25,288 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz' 2026-02-10T11:43:25,290 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz' 2026-02-10T11:43:25,291 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz' 2026-02-10T11:43:25,293 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz' 2026-02-10T11:43:25,294 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz' 2026-02-10T11:43:25,296 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz' 2026-02-10T11:43:25,297 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz' 2026-02-10T11:43:25,299 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz' 2026-02-10T11:43:25,301 adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz' 2026-02-10T11:43:25,305 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz' 2026-02-10T11:43:25,306 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz' 2026-02-10T11:43:25,308 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz' 2026-02-10T11:43:25,310 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,311 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,313 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,314 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,316 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,317 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,319 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz' 2026-02-10T11:43:25,320 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz' 2026-02-10T11:43:25,322 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz' 2026-02-10T11:43:25,323 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,325 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,326 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,327 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:25,329 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:25,330 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:25,332 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:25,333 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:25,335 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:25,336 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:25,337 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:25,338 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:25,339 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,341 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,342 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,343 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:25,344 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:25,346 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:25,347 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:25,348 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:25,349 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:25,350 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:25,351 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:25,353 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:25,354 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:25,355 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:25,356 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:25,357 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz' 2026-02-10T11:43:25,359 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz' 2026-02-10T11:43:25,360 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz' 2026-02-10T11:43:25,362 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz' 2026-02-10T11:43:25,363 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz' 2026-02-10T11:43:25,364 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz' 2026-02-10T11:43:25,365 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,366 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,367 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,369 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz' 2026-02-10T11:43:25,370 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz' 2026-02-10T11:43:25,371 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz' 2026-02-10T11:43:25,372 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:25,374 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:25,375 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:25,376 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:25,378 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:25,379 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:25,380 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,381 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,383 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,384 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:25,385 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:25,386 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:25,388 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:25,389 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:25,390 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:25,392 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,393 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,394 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,395 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:25,396 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:25,397 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:25,398 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:25,399 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:25,401 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:25,402 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz' 2026-02-10T11:43:25,403 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz' 2026-02-10T11:43:25,405 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz' 2026-02-10T11:43:25,406 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz' 2026-02-10T11:43:25,407 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz' 2026-02-10T11:43:25,409 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz' 2026-02-10T11:43:25,410 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz' 2026-02-10T11:43:25,411 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz' 2026-02-10T11:43:25,413 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz' 2026-02-10T11:43:25,414 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz' 2026-02-10T11:43:25,415 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz' 2026-02-10T11:43:25,416 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz' 2026-02-10T11:43:25,418 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz' 2026-02-10T11:43:25,419 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz' 2026-02-10T11:43:25,420 adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz' 2026-02-10T11:43:25,423 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz' 2026-02-10T11:43:25,424 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:25,425 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:25,427 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz' 2026-02-10T11:43:25,428 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:25,429 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:25,430 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:25,432 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz' 2026-02-10T11:43:25,433 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:25,434 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:25,435 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:25,437 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:25,438 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz' 2026-02-10T11:43:25,439 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:25,440 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:25,441 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:25,443 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:25,444 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz' 2026-02-10T11:43:25,446 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz' 2026-02-10T11:43:25,447 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:25,448 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:25,449 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:25,451 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:25,452 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz' 2026-02-10T11:43:25,453 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz' 2026-02-10T11:43:25,454 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz' 2026-02-10T11:43:25,456 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz' 2026-02-10T11:43:25,457 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz' 2026-02-10T11:43:25,458 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz' 2026-02-10T11:43:25,459 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz' 2026-02-10T11:43:25,460 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz' 2026-02-10T11:43:25,461 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz' 2026-02-10T11:43:25,462 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz' 2026-02-10T11:43:25,465 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz' 2026-02-10T11:43:25,466 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz' 2026-02-10T11:43:25,467 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz' 2026-02-10T11:43:25,469 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz' 2026-02-10T11:43:25,470 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz' 2026-02-10T11:43:25,471 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz' 2026-02-10T11:43:25,473 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz' 2026-02-10T11:43:25,474 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz' 2026-02-10T11:43:25,475 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz' 2026-02-10T11:43:25,476 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz' 2026-02-10T11:43:25,478 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz' 2026-02-10T11:43:25,479 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz' 2026-02-10T11:43:25,480 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz' 2026-02-10T11:43:25,481 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz' 2026-02-10T11:43:25,483 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz' 2026-02-10T11:43:25,484 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz' 2026-02-10T11:43:25,485 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz' 2026-02-10T11:43:25,486 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz' 2026-02-10T11:43:25,488 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz' 2026-02-10T11:43:25,489 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz' 2026-02-10T11:43:25,490 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz' 2026-02-10T11:43:25,491 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz' 2026-02-10T11:43:25,493 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz' 2026-02-10T11:43:25,494 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz' 2026-02-10T11:43:25,495 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz' 2026-02-10T11:43:25,496 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz' 2026-02-10T11:43:25,497 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz' 2026-02-10T11:43:25,499 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz' 2026-02-10T11:43:25,500 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz' 2026-02-10T11:43:25,501 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz' 2026-02-10T11:43:25,502 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz' 2026-02-10T11:43:25,504 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz' 2026-02-10T11:43:25,505 adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz' 2026-02-10T11:43:25,507 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz' 2026-02-10T11:43:25,509 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz' 2026-02-10T11:43:25,510 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz' 2026-02-10T11:43:25,511 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz' 2026-02-10T11:43:25,512 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz' 2026-02-10T11:43:25,513 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz' 2026-02-10T11:43:25,515 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz' 2026-02-10T11:43:25,516 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz' 2026-02-10T11:43:25,517 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz' 2026-02-10T11:43:25,518 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz' 2026-02-10T11:43:25,520 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz' 2026-02-10T11:43:25,521 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz' 2026-02-10T11:43:25,522 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz' 2026-02-10T11:43:25,523 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz' 2026-02-10T11:43:25,524 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz' 2026-02-10T11:43:25,526 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz' 2026-02-10T11:43:25,527 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz' 2026-02-10T11:43:25,528 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz' 2026-02-10T11:43:25,529 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz' 2026-02-10T11:43:25,531 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz' 2026-02-10T11:43:25,532 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz' 2026-02-10T11:43:25,533 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz' 2026-02-10T11:43:25,534 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz' 2026-02-10T11:43:25,535 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz' 2026-02-10T11:43:25,537 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz' 2026-02-10T11:43:25,538 adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz' 2026-02-10T11:43:25,540 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:25,542 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz' 2026-02-10T11:43:25,543 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz' 2026-02-10T11:43:25,544 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz' 2026-02-10T11:43:25,545 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz' 2026-02-10T11:43:25,547 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz' 2026-02-10T11:43:25,548 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz' 2026-02-10T11:43:25,549 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz' 2026-02-10T11:43:25,551 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz' 2026-02-10T11:43:25,552 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz' 2026-02-10T11:43:25,553 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz' 2026-02-10T11:43:25,555 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz' 2026-02-10T11:43:25,556 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz' 2026-02-10T11:43:25,557 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz' 2026-02-10T11:43:25,559 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz' 2026-02-10T11:43:25,560 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz' 2026-02-10T11:43:25,561 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz' 2026-02-10T11:43:25,562 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz' 2026-02-10T11:43:25,564 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz' 2026-02-10T11:43:25,565 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz' 2026-02-10T11:43:25,566 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz' 2026-02-10T11:43:25,567 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz' 2026-02-10T11:43:25,569 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz' 2026-02-10T11:43:25,570 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz' 2026-02-10T11:43:25,572 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz' 2026-02-10T11:43:25,573 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz' 2026-02-10T11:43:25,574 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz' 2026-02-10T11:43:25,576 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz' 2026-02-10T11:43:25,577 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz' 2026-02-10T11:43:25,578 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz' 2026-02-10T11:43:25,580 adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:25,584 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz' 2026-02-10T11:43:25,585 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz' 2026-02-10T11:43:25,587 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz' 2026-02-10T11:43:25,588 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:25,589 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:25,590 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:25,591 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz' 2026-02-10T11:43:25,593 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz' 2026-02-10T11:43:25,594 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz' 2026-02-10T11:43:25,596 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz' 2026-02-10T11:43:25,597 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz' 2026-02-10T11:43:25,599 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz' 2026-02-10T11:43:25,600 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:25,601 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:25,602 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:25,604 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz' 2026-02-10T11:43:25,605 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz' 2026-02-10T11:43:25,606 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz' 2026-02-10T11:43:25,608 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz' 2026-02-10T11:43:25,609 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz' 2026-02-10T11:43:25,611 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz' 2026-02-10T11:43:25,612 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz' 2026-02-10T11:43:25,613 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz' 2026-02-10T11:43:25,615 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz' 2026-02-10T11:43:25,616 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz' 2026-02-10T11:43:25,617 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz' 2026-02-10T11:43:25,619 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz' 2026-02-10T11:43:25,620 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz' 2026-02-10T11:43:25,621 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz' 2026-02-10T11:43:25,622 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz' 2026-02-10T11:43:25,623 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:25,625 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:25,626 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:25,627 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz' 2026-02-10T11:43:25,629 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz' 2026-02-10T11:43:25,630 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz' 2026-02-10T11:43:25,631 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz' 2026-02-10T11:43:25,633 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz' 2026-02-10T11:43:25,634 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz' 2026-02-10T11:43:25,635 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:25,637 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:25,638 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:25,639 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz' 2026-02-10T11:43:25,640 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz' 2026-02-10T11:43:25,642 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz' 2026-02-10T11:43:25,643 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz' 2026-02-10T11:43:25,645 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz' 2026-02-10T11:43:25,646 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz' 2026-02-10T11:43:25,647 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz' 2026-02-10T11:43:25,649 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz' 2026-02-10T11:43:25,650 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz' 2026-02-10T11:43:25,651 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz' 2026-02-10T11:43:25,653 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz' 2026-02-10T11:43:25,654 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz' 2026-02-10T11:43:25,655 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz' 2026-02-10T11:43:25,657 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz' 2026-02-10T11:43:25,658 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz' 2026-02-10T11:43:25,659 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz' 2026-02-10T11:43:25,661 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz' 2026-02-10T11:43:25,662 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz' 2026-02-10T11:43:25,663 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz' 2026-02-10T11:43:25,664 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz' 2026-02-10T11:43:25,665 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz' 2026-02-10T11:43:25,667 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz' 2026-02-10T11:43:25,668 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz' 2026-02-10T11:43:25,670 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz' 2026-02-10T11:43:25,671 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz' 2026-02-10T11:43:25,672 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz' 2026-02-10T11:43:25,673 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz' 2026-02-10T11:43:25,674 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:25,676 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:25,677 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:25,678 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz' 2026-02-10T11:43:25,679 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz' 2026-02-10T11:43:25,680 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz' 2026-02-10T11:43:25,682 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:25,683 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:25,684 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:25,685 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz' 2026-02-10T11:43:25,687 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz' 2026-02-10T11:43:25,688 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz' 2026-02-10T11:43:25,689 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:25,690 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:25,692 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:25,693 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz' 2026-02-10T11:43:25,694 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz' 2026-02-10T11:43:25,695 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz' 2026-02-10T11:43:25,696 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:25,698 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:25,699 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:25,700 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz' 2026-02-10T11:43:25,702 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz' 2026-02-10T11:43:25,703 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz' 2026-02-10T11:43:25,705 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz' 2026-02-10T11:43:25,706 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz' 2026-02-10T11:43:25,708 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz' 2026-02-10T11:43:25,709 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz' 2026-02-10T11:43:25,710 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz' 2026-02-10T11:43:25,711 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz' 2026-02-10T11:43:25,713 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz' 2026-02-10T11:43:25,714 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz' 2026-02-10T11:43:25,715 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz' 2026-02-10T11:43:25,717 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz' 2026-02-10T11:43:25,718 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz' 2026-02-10T11:43:25,720 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz' 2026-02-10T11:43:25,721 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz' 2026-02-10T11:43:25,723 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz' 2026-02-10T11:43:25,724 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz' 2026-02-10T11:43:25,725 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz' 2026-02-10T11:43:25,727 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz' 2026-02-10T11:43:25,728 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz' 2026-02-10T11:43:25,729 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:25,730 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:25,731 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:25,732 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz' 2026-02-10T11:43:25,734 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz' 2026-02-10T11:43:25,735 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz' 2026-02-10T11:43:25,737 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz' 2026-02-10T11:43:25,738 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz' 2026-02-10T11:43:25,740 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz' 2026-02-10T11:43:25,741 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz' 2026-02-10T11:43:25,742 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz' 2026-02-10T11:43:25,744 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz' 2026-02-10T11:43:25,745 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz' 2026-02-10T11:43:25,746 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz' 2026-02-10T11:43:25,748 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz' 2026-02-10T11:43:25,749 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz' 2026-02-10T11:43:25,751 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz' 2026-02-10T11:43:25,752 adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz' 2026-02-10T11:43:25,756 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz' 2026-02-10T11:43:25,757 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz' 2026-02-10T11:43:25,759 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz' 2026-02-10T11:43:25,761 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz' 2026-02-10T11:43:25,762 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz' 2026-02-10T11:43:25,764 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz' 2026-02-10T11:43:25,766 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz' 2026-02-10T11:43:25,767 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz' 2026-02-10T11:43:25,769 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz' 2026-02-10T11:43:25,770 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz' 2026-02-10T11:43:25,771 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz' 2026-02-10T11:43:25,773 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz' 2026-02-10T11:43:25,774 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz' 2026-02-10T11:43:25,776 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz' 2026-02-10T11:43:25,777 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz' 2026-02-10T11:43:25,779 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz' 2026-02-10T11:43:25,780 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz' 2026-02-10T11:43:25,782 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz' 2026-02-10T11:43:25,784 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz' 2026-02-10T11:43:25,785 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz' 2026-02-10T11:43:25,787 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz' 2026-02-10T11:43:25,789 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz' 2026-02-10T11:43:25,790 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz' 2026-02-10T11:43:25,792 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz' 2026-02-10T11:43:25,793 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz' 2026-02-10T11:43:25,795 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz' 2026-02-10T11:43:25,796 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz' 2026-02-10T11:43:25,798 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz' 2026-02-10T11:43:25,799 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz' 2026-02-10T11:43:25,801 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz' 2026-02-10T11:43:25,802 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz' 2026-02-10T11:43:25,803 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz' 2026-02-10T11:43:25,805 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz' 2026-02-10T11:43:25,806 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz' 2026-02-10T11:43:25,808 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz' 2026-02-10T11:43:25,809 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz' 2026-02-10T11:43:25,811 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz' 2026-02-10T11:43:25,812 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz' 2026-02-10T11:43:25,814 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz' 2026-02-10T11:43:25,815 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz' 2026-02-10T11:43:25,817 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz' 2026-02-10T11:43:25,818 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz' 2026-02-10T11:43:25,820 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz' 2026-02-10T11:43:25,821 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz' 2026-02-10T11:43:25,823 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz' 2026-02-10T11:43:25,824 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz' 2026-02-10T11:43:25,825 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz' 2026-02-10T11:43:25,827 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz' 2026-02-10T11:43:25,828 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz' 2026-02-10T11:43:25,829 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz' 2026-02-10T11:43:25,831 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz' 2026-02-10T11:43:25,832 adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz' 2026-02-10T11:43:25,838 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz' 2026-02-10T11:43:25,839 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz' 2026-02-10T11:43:25,840 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz' 2026-02-10T11:43:25,841 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz' 2026-02-10T11:43:25,842 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz' 2026-02-10T11:43:25,844 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz' 2026-02-10T11:43:25,845 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz' 2026-02-10T11:43:25,846 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz' 2026-02-10T11:43:25,847 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz' 2026-02-10T11:43:25,848 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz' 2026-02-10T11:43:25,850 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz' 2026-02-10T11:43:25,851 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz' 2026-02-10T11:43:25,852 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz' 2026-02-10T11:43:25,853 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz' 2026-02-10T11:43:25,855 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz' 2026-02-10T11:43:25,856 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz' 2026-02-10T11:43:25,857 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz' 2026-02-10T11:43:25,858 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz' 2026-02-10T11:43:25,860 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz' 2026-02-10T11:43:25,861 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz' 2026-02-10T11:43:25,862 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz' 2026-02-10T11:43:25,863 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz' 2026-02-10T11:43:25,864 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz' 2026-02-10T11:43:25,866 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz' 2026-02-10T11:43:25,867 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz' 2026-02-10T11:43:25,868 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz' 2026-02-10T11:43:25,869 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz' 2026-02-10T11:43:25,870 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz' 2026-02-10T11:43:25,872 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz' 2026-02-10T11:43:25,873 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz' 2026-02-10T11:43:25,874 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz' 2026-02-10T11:43:25,875 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz' 2026-02-10T11:43:25,876 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz' 2026-02-10T11:43:25,878 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz' 2026-02-10T11:43:25,879 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz' 2026-02-10T11:43:25,880 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz' 2026-02-10T11:43:25,881 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz' 2026-02-10T11:43:25,882 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz' 2026-02-10T11:43:25,883 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz' 2026-02-10T11:43:25,885 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz' 2026-02-10T11:43:25,886 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz' 2026-02-10T11:43:25,888 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz' 2026-02-10T11:43:25,889 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz' 2026-02-10T11:43:25,890 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz' 2026-02-10T11:43:25,891 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz' 2026-02-10T11:43:25,892 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz' 2026-02-10T11:43:25,893 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz' 2026-02-10T11:43:25,895 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz' 2026-02-10T11:43:25,896 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz' 2026-02-10T11:43:25,897 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz' 2026-02-10T11:43:25,899 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz' 2026-02-10T11:43:25,900 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz' 2026-02-10T11:43:25,901 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz' 2026-02-10T11:43:25,902 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz' 2026-02-10T11:43:25,904 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz' 2026-02-10T11:43:25,905 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz' 2026-02-10T11:43:25,906 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz' 2026-02-10T11:43:25,907 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz' 2026-02-10T11:43:25,908 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz' 2026-02-10T11:43:25,909 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz' 2026-02-10T11:43:25,911 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz' 2026-02-10T11:43:25,912 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz' 2026-02-10T11:43:25,913 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz' 2026-02-10T11:43:25,914 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz' 2026-02-10T11:43:25,915 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz' 2026-02-10T11:43:25,917 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz' 2026-02-10T11:43:25,918 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz' 2026-02-10T11:43:25,919 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz' 2026-02-10T11:43:25,920 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz' 2026-02-10T11:43:25,922 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz' 2026-02-10T11:43:25,923 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz' 2026-02-10T11:43:25,924 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz' 2026-02-10T11:43:25,926 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz' 2026-02-10T11:43:25,927 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz' 2026-02-10T11:43:25,929 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz' 2026-02-10T11:43:25,930 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz' 2026-02-10T11:43:25,931 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz' 2026-02-10T11:43:25,932 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz' 2026-02-10T11:43:25,934 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz' 2026-02-10T11:43:25,935 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz' 2026-02-10T11:43:25,936 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz' 2026-02-10T11:43:25,938 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz' 2026-02-10T11:43:25,939 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz' 2026-02-10T11:43:25,941 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz' 2026-02-10T11:43:25,942 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz' 2026-02-10T11:43:25,943 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz' 2026-02-10T11:43:25,944 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz' 2026-02-10T11:43:25,945 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz' 2026-02-10T11:43:25,946 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz' 2026-02-10T11:43:25,947 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz' 2026-02-10T11:43:25,948 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz' 2026-02-10T11:43:25,949 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz' 2026-02-10T11:43:25,951 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz' 2026-02-10T11:43:25,952 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz' 2026-02-10T11:43:25,953 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz' 2026-02-10T11:43:25,954 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz' 2026-02-10T11:43:25,955 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz' 2026-02-10T11:43:25,956 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz' 2026-02-10T11:43:25,957 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz' 2026-02-10T11:43:25,959 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz' 2026-02-10T11:43:25,960 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz' 2026-02-10T11:43:25,961 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz' 2026-02-10T11:43:25,962 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz' 2026-02-10T11:43:25,963 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz' 2026-02-10T11:43:25,965 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz' 2026-02-10T11:43:25,966 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz' 2026-02-10T11:43:25,967 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz' 2026-02-10T11:43:25,970 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz' 2026-02-10T11:43:25,971 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz' 2026-02-10T11:43:25,972 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz' 2026-02-10T11:43:25,974 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz' 2026-02-10T11:43:25,975 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz' 2026-02-10T11:43:25,976 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz' 2026-02-10T11:43:25,977 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz' 2026-02-10T11:43:25,978 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz' 2026-02-10T11:43:25,980 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz' 2026-02-10T11:43:25,981 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz' 2026-02-10T11:43:25,982 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz' 2026-02-10T11:43:25,983 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz' 2026-02-10T11:43:25,985 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz' 2026-02-10T11:43:25,986 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz' 2026-02-10T11:43:25,987 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz' 2026-02-10T11:43:25,988 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz' 2026-02-10T11:43:25,990 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz' 2026-02-10T11:43:25,991 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz' 2026-02-10T11:43:25,992 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz' 2026-02-10T11:43:25,993 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz' 2026-02-10T11:43:25,994 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz' 2026-02-10T11:43:25,995 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz' 2026-02-10T11:43:25,996 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz' 2026-02-10T11:43:25,998 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz' 2026-02-10T11:43:25,999 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz' 2026-02-10T11:43:26,000 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz' 2026-02-10T11:43:26,001 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz' 2026-02-10T11:43:26,003 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz' 2026-02-10T11:43:26,004 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz' 2026-02-10T11:43:26,005 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz' 2026-02-10T11:43:26,006 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz' 2026-02-10T11:43:26,007 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz' 2026-02-10T11:43:26,009 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz' 2026-02-10T11:43:26,010 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz' 2026-02-10T11:43:26,011 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz' 2026-02-10T11:43:26,012 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz' 2026-02-10T11:43:26,013 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz' 2026-02-10T11:43:26,015 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz' 2026-02-10T11:43:26,016 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz' 2026-02-10T11:43:26,017 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz' 2026-02-10T11:43:26,018 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz' 2026-02-10T11:43:26,020 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz' 2026-02-10T11:43:26,021 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz' 2026-02-10T11:43:26,022 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz' 2026-02-10T11:43:26,023 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz' 2026-02-10T11:43:26,025 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz' 2026-02-10T11:43:26,026 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz' 2026-02-10T11:43:26,027 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz' 2026-02-10T11:43:26,028 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz' 2026-02-10T11:43:26,030 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz' 2026-02-10T11:43:26,031 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz' 2026-02-10T11:43:26,032 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz' 2026-02-10T11:43:26,033 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz' 2026-02-10T11:43:26,035 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz' 2026-02-10T11:43:26,036 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz' 2026-02-10T11:43:26,037 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz' 2026-02-10T11:43:26,038 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz' 2026-02-10T11:43:26,039 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz' 2026-02-10T11:43:26,041 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz' 2026-02-10T11:43:26,042 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz' 2026-02-10T11:43:26,043 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz' 2026-02-10T11:43:26,044 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz' 2026-02-10T11:43:26,046 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz' 2026-02-10T11:43:26,047 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz' 2026-02-10T11:43:26,048 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz' 2026-02-10T11:43:26,049 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz' 2026-02-10T11:43:26,051 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz' 2026-02-10T11:43:26,052 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz' 2026-02-10T11:43:26,053 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz' 2026-02-10T11:43:26,055 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz' 2026-02-10T11:43:26,056 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz' 2026-02-10T11:43:26,057 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz' 2026-02-10T11:43:26,058 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz' 2026-02-10T11:43:26,060 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz' 2026-02-10T11:43:26,061 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz' 2026-02-10T11:43:26,062 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz' 2026-02-10T11:43:26,063 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz' 2026-02-10T11:43:26,065 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz' 2026-02-10T11:43:26,066 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz' 2026-02-10T11:43:26,067 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz' 2026-02-10T11:43:26,069 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz' 2026-02-10T11:43:26,070 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz' 2026-02-10T11:43:26,071 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz' 2026-02-10T11:43:26,074 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz' 2026-02-10T11:43:26,075 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz' 2026-02-10T11:43:26,077 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz' 2026-02-10T11:43:26,078 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz' 2026-02-10T11:43:26,079 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz' 2026-02-10T11:43:26,081 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz' 2026-02-10T11:43:26,082 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz' 2026-02-10T11:43:26,084 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz' 2026-02-10T11:43:26,085 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz' 2026-02-10T11:43:26,086 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz' 2026-02-10T11:43:26,087 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz' 2026-02-10T11:43:26,089 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz' 2026-02-10T11:43:26,090 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz' 2026-02-10T11:43:26,091 adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz' 2026-02-10T11:43:26,093 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz' 2026-02-10T11:43:26,095 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz' 2026-02-10T11:43:26,096 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz' 2026-02-10T11:43:26,097 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz' 2026-02-10T11:43:26,098 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz' 2026-02-10T11:43:26,100 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz' 2026-02-10T11:43:26,101 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz' 2026-02-10T11:43:26,102 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz' 2026-02-10T11:43:26,103 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz' 2026-02-10T11:43:26,104 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz' 2026-02-10T11:43:26,105 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz' 2026-02-10T11:43:26,106 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz' 2026-02-10T11:43:26,107 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz' 2026-02-10T11:43:26,109 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz' 2026-02-10T11:43:26,110 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz' 2026-02-10T11:43:26,111 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz' 2026-02-10T11:43:26,112 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz' 2026-02-10T11:43:26,114 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz' 2026-02-10T11:43:26,115 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz' 2026-02-10T11:43:26,116 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz' 2026-02-10T11:43:26,117 adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz' 2026-02-10T11:43:26,119 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz' 2026-02-10T11:43:26,120 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz' 2026-02-10T11:43:26,122 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz' 2026-02-10T11:43:26,123 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz' 2026-02-10T11:43:26,124 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz' 2026-02-10T11:43:26,126 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz' 2026-02-10T11:43:26,127 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz' 2026-02-10T11:43:26,128 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz' 2026-02-10T11:43:26,130 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz' 2026-02-10T11:43:26,131 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz' 2026-02-10T11:43:26,132 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz' 2026-02-10T11:43:26,134 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz' 2026-02-10T11:43:26,135 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz' 2026-02-10T11:43:26,136 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz' 2026-02-10T11:43:26,138 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz' 2026-02-10T11:43:26,139 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz' 2026-02-10T11:43:26,140 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz' 2026-02-10T11:43:26,141 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz' 2026-02-10T11:43:26,143 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz' 2026-02-10T11:43:26,144 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz' 2026-02-10T11:43:26,145 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz' 2026-02-10T11:43:26,147 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz' 2026-02-10T11:43:26,148 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz' 2026-02-10T11:43:26,149 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz' 2026-02-10T11:43:26,150 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz' 2026-02-10T11:43:26,151 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz' 2026-02-10T11:43:26,154 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz' 2026-02-10T11:43:26,155 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz' 2026-02-10T11:43:26,157 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz' 2026-02-10T11:43:26,158 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz' 2026-02-10T11:43:26,159 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz' 2026-02-10T11:43:26,160 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz' 2026-02-10T11:43:26,161 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz' 2026-02-10T11:43:26,162 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz' 2026-02-10T11:43:26,164 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz' 2026-02-10T11:43:26,165 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz' 2026-02-10T11:43:26,166 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz' 2026-02-10T11:43:26,167 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz' 2026-02-10T11:43:26,169 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz' 2026-02-10T11:43:26,170 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz' 2026-02-10T11:43:26,171 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz' 2026-02-10T11:43:26,172 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz' 2026-02-10T11:43:26,173 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz' 2026-02-10T11:43:26,174 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz' 2026-02-10T11:43:26,175 adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz' 2026-02-10T11:43:26,178 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz' 2026-02-10T11:43:26,179 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz' 2026-02-10T11:43:26,180 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz' 2026-02-10T11:43:26,182 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz' 2026-02-10T11:43:26,183 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz' 2026-02-10T11:43:26,184 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz' 2026-02-10T11:43:26,186 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz' 2026-02-10T11:43:26,187 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz' 2026-02-10T11:43:26,188 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz' 2026-02-10T11:43:26,189 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz' 2026-02-10T11:43:26,191 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz' 2026-02-10T11:43:26,192 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz' 2026-02-10T11:43:26,193 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz' 2026-02-10T11:43:26,194 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz' 2026-02-10T11:43:26,195 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz' 2026-02-10T11:43:26,196 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz' 2026-02-10T11:43:26,198 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz' 2026-02-10T11:43:26,200 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz' 2026-02-10T11:43:26,201 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz' 2026-02-10T11:43:26,203 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz' 2026-02-10T11:43:26,204 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz' 2026-02-10T11:43:26,205 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz' 2026-02-10T11:43:26,206 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz' 2026-02-10T11:43:26,208 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz' 2026-02-10T11:43:26,209 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz' 2026-02-10T11:43:26,210 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz' 2026-02-10T11:43:26,211 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz' 2026-02-10T11:43:26,212 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz' 2026-02-10T11:43:26,214 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz' 2026-02-10T11:43:26,215 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz' 2026-02-10T11:43:26,216 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz' 2026-02-10T11:43:26,217 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz' 2026-02-10T11:43:26,219 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz' 2026-02-10T11:43:26,220 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz' 2026-02-10T11:43:26,221 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz' 2026-02-10T11:43:26,222 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz' 2026-02-10T11:43:26,224 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz' 2026-02-10T11:43:26,225 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz' 2026-02-10T11:43:26,226 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz' 2026-02-10T11:43:26,227 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz' 2026-02-10T11:43:26,229 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz' 2026-02-10T11:43:26,230 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz' 2026-02-10T11:43:26,231 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz' 2026-02-10T11:43:26,232 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz' 2026-02-10T11:43:26,233 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz' 2026-02-10T11:43:26,235 adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz' 2026-02-10T11:43:26,236 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz' 2026-02-10T11:43:26,238 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz' 2026-02-10T11:43:26,239 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz' 2026-02-10T11:43:26,240 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz' 2026-02-10T11:43:26,242 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz' 2026-02-10T11:43:26,243 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz' 2026-02-10T11:43:26,244 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz' 2026-02-10T11:43:26,246 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz' 2026-02-10T11:43:26,247 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz' 2026-02-10T11:43:26,248 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz' 2026-02-10T11:43:26,249 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz' 2026-02-10T11:43:26,250 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz' 2026-02-10T11:43:26,252 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz' 2026-02-10T11:43:26,253 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz' 2026-02-10T11:43:26,254 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz' 2026-02-10T11:43:26,255 adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz' 2026-02-10T11:43:26,257 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz' 2026-02-10T11:43:26,259 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz' 2026-02-10T11:43:26,260 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz' 2026-02-10T11:43:26,262 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz' 2026-02-10T11:43:26,263 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz' 2026-02-10T11:43:26,264 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz' 2026-02-10T11:43:26,265 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz' 2026-02-10T11:43:26,267 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz' 2026-02-10T11:43:26,268 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz' 2026-02-10T11:43:26,269 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz' 2026-02-10T11:43:26,270 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz' 2026-02-10T11:43:26,272 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz' 2026-02-10T11:43:26,273 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz' 2026-02-10T11:43:26,274 adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz' 2026-02-10T11:43:26,277 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:26,278 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:26,279 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:26,280 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:26,281 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:26,283 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:26,284 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz' 2026-02-10T11:43:26,285 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz' 2026-02-10T11:43:26,287 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:26,288 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:26,290 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:26,291 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:26,292 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:26,293 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:26,294 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz' 2026-02-10T11:43:26,296 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz' 2026-02-10T11:43:26,298 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:26,299 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:26,300 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:26,301 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:26,303 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:26,304 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:26,305 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz' 2026-02-10T11:43:26,307 adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz' 2026-02-10T11:43:26,318 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz' 2026-02-10T11:43:26,319 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz' 2026-02-10T11:43:26,320 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz' 2026-02-10T11:43:26,322 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz' 2026-02-10T11:43:26,323 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz' 2026-02-10T11:43:26,325 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz' 2026-02-10T11:43:26,326 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz' 2026-02-10T11:43:26,327 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz' 2026-02-10T11:43:26,328 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz' 2026-02-10T11:43:26,329 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz' 2026-02-10T11:43:26,330 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz' 2026-02-10T11:43:26,331 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz' 2026-02-10T11:43:26,333 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz' 2026-02-10T11:43:26,334 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz' 2026-02-10T11:43:26,335 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz' 2026-02-10T11:43:26,336 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz' 2026-02-10T11:43:26,337 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz' 2026-02-10T11:43:26,339 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz' 2026-02-10T11:43:26,340 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz' 2026-02-10T11:43:26,341 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz' 2026-02-10T11:43:26,342 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz' 2026-02-10T11:43:26,344 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz' 2026-02-10T11:43:26,345 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz' 2026-02-10T11:43:26,346 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz' 2026-02-10T11:43:26,347 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz' 2026-02-10T11:43:26,348 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz' 2026-02-10T11:43:26,349 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz' 2026-02-10T11:43:26,350 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz' 2026-02-10T11:43:26,351 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz' 2026-02-10T11:43:26,353 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz' 2026-02-10T11:43:26,354 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz' 2026-02-10T11:43:26,355 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz' 2026-02-10T11:43:26,357 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz' 2026-02-10T11:43:26,358 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz' 2026-02-10T11:43:26,359 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz' 2026-02-10T11:43:26,360 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz' 2026-02-10T11:43:26,361 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz' 2026-02-10T11:43:26,362 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz' 2026-02-10T11:43:26,364 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz' 2026-02-10T11:43:26,365 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz' 2026-02-10T11:43:26,366 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz' 2026-02-10T11:43:26,367 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz' 2026-02-10T11:43:26,369 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz' 2026-02-10T11:43:26,370 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz' 2026-02-10T11:43:26,371 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz' 2026-02-10T11:43:26,373 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz' 2026-02-10T11:43:26,374 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz' 2026-02-10T11:43:26,375 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz' 2026-02-10T11:43:26,376 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz' 2026-02-10T11:43:26,377 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz' 2026-02-10T11:43:26,378 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz' 2026-02-10T11:43:26,379 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz' 2026-02-10T11:43:26,380 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz' 2026-02-10T11:43:26,381 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz' 2026-02-10T11:43:26,383 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz' 2026-02-10T11:43:26,384 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz' 2026-02-10T11:43:26,385 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz' 2026-02-10T11:43:26,386 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz' 2026-02-10T11:43:26,387 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz' 2026-02-10T11:43:26,388 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz' 2026-02-10T11:43:26,389 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz' 2026-02-10T11:43:26,390 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz' 2026-02-10T11:43:26,391 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz' 2026-02-10T11:43:26,393 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz' 2026-02-10T11:43:26,394 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz' 2026-02-10T11:43:26,395 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz' 2026-02-10T11:43:26,396 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz' 2026-02-10T11:43:26,397 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz' 2026-02-10T11:43:26,399 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz' 2026-02-10T11:43:26,400 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz' 2026-02-10T11:43:26,401 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz' 2026-02-10T11:43:26,402 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz' 2026-02-10T11:43:26,403 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz' 2026-02-10T11:43:26,404 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz' 2026-02-10T11:43:26,406 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz' 2026-02-10T11:43:26,407 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz' 2026-02-10T11:43:26,408 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz' 2026-02-10T11:43:26,409 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz' 2026-02-10T11:43:26,410 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz' 2026-02-10T11:43:26,411 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz' 2026-02-10T11:43:26,413 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz' 2026-02-10T11:43:26,414 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz' 2026-02-10T11:43:26,415 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz' 2026-02-10T11:43:26,416 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz' 2026-02-10T11:43:26,417 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz' 2026-02-10T11:43:26,418 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz' 2026-02-10T11:43:26,420 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz' 2026-02-10T11:43:26,421 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz' 2026-02-10T11:43:26,422 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz' 2026-02-10T11:43:26,423 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz' 2026-02-10T11:43:26,424 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz' 2026-02-10T11:43:26,426 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz' 2026-02-10T11:43:26,427 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz' 2026-02-10T11:43:26,428 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz' 2026-02-10T11:43:26,429 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz' 2026-02-10T11:43:26,430 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz' 2026-02-10T11:43:26,431 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz' 2026-02-10T11:43:26,432 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz' 2026-02-10T11:43:26,433 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz' 2026-02-10T11:43:26,434 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz' 2026-02-10T11:43:26,435 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz' 2026-02-10T11:43:26,436 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz' 2026-02-10T11:43:26,437 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz' 2026-02-10T11:43:26,439 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz' 2026-02-10T11:43:26,440 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz' 2026-02-10T11:43:26,441 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz' 2026-02-10T11:43:26,442 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz' 2026-02-10T11:43:26,444 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz' 2026-02-10T11:43:26,445 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz' 2026-02-10T11:43:26,446 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz' 2026-02-10T11:43:26,447 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz' 2026-02-10T11:43:26,448 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz' 2026-02-10T11:43:26,450 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz' 2026-02-10T11:43:26,451 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz' 2026-02-10T11:43:26,452 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz' 2026-02-10T11:43:26,453 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz' 2026-02-10T11:43:26,454 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz' 2026-02-10T11:43:26,455 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz' 2026-02-10T11:43:26,456 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz' 2026-02-10T11:43:26,458 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz' 2026-02-10T11:43:26,459 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz' 2026-02-10T11:43:26,460 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz' 2026-02-10T11:43:26,461 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz' 2026-02-10T11:43:26,462 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz' 2026-02-10T11:43:26,463 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz' 2026-02-10T11:43:26,465 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz' 2026-02-10T11:43:26,466 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz' 2026-02-10T11:43:26,467 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz' 2026-02-10T11:43:26,468 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz' 2026-02-10T11:43:26,470 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz' 2026-02-10T11:43:26,471 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz' 2026-02-10T11:43:26,472 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz' 2026-02-10T11:43:26,474 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz' 2026-02-10T11:43:26,475 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz' 2026-02-10T11:43:26,476 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz' 2026-02-10T11:43:26,478 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz' 2026-02-10T11:43:26,479 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz' 2026-02-10T11:43:26,480 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz' 2026-02-10T11:43:26,481 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz' 2026-02-10T11:43:26,482 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz' 2026-02-10T11:43:26,483 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz' 2026-02-10T11:43:26,484 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz' 2026-02-10T11:43:26,485 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz' 2026-02-10T11:43:26,487 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz' 2026-02-10T11:43:26,488 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz' 2026-02-10T11:43:26,489 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz' 2026-02-10T11:43:26,490 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz' 2026-02-10T11:43:26,491 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz' 2026-02-10T11:43:26,492 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz' 2026-02-10T11:43:26,493 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz' 2026-02-10T11:43:26,495 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz' 2026-02-10T11:43:26,496 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz' 2026-02-10T11:43:26,497 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz' 2026-02-10T11:43:26,498 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz' 2026-02-10T11:43:26,499 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz' 2026-02-10T11:43:26,500 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz' 2026-02-10T11:43:26,501 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz' 2026-02-10T11:43:26,503 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz' 2026-02-10T11:43:26,504 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz' 2026-02-10T11:43:26,505 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz' 2026-02-10T11:43:26,506 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz' 2026-02-10T11:43:26,507 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz' 2026-02-10T11:43:26,508 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz' 2026-02-10T11:43:26,509 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz' 2026-02-10T11:43:26,511 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz' 2026-02-10T11:43:26,512 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz' 2026-02-10T11:43:26,513 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz' 2026-02-10T11:43:26,514 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz' 2026-02-10T11:43:26,515 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz' 2026-02-10T11:43:26,516 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz' 2026-02-10T11:43:26,517 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz' 2026-02-10T11:43:26,518 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz' 2026-02-10T11:43:26,519 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz' 2026-02-10T11:43:26,521 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz' 2026-02-10T11:43:26,522 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz' 2026-02-10T11:43:26,523 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz' 2026-02-10T11:43:26,524 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz' 2026-02-10T11:43:26,525 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz' 2026-02-10T11:43:26,526 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz' 2026-02-10T11:43:26,527 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz' 2026-02-10T11:43:26,528 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz' 2026-02-10T11:43:26,529 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz' 2026-02-10T11:43:26,531 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz' 2026-02-10T11:43:26,532 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz' 2026-02-10T11:43:26,533 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz' 2026-02-10T11:43:26,534 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz' 2026-02-10T11:43:26,535 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz' 2026-02-10T11:43:26,536 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz' 2026-02-10T11:43:26,537 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz' 2026-02-10T11:43:26,538 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz' 2026-02-10T11:43:26,540 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz' 2026-02-10T11:43:26,541 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz' 2026-02-10T11:43:26,542 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz' 2026-02-10T11:43:26,543 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz' 2026-02-10T11:43:26,544 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz' 2026-02-10T11:43:26,545 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz' 2026-02-10T11:43:26,546 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz' 2026-02-10T11:43:26,548 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz' 2026-02-10T11:43:26,549 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz' 2026-02-10T11:43:26,550 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz' 2026-02-10T11:43:26,551 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz' 2026-02-10T11:43:26,552 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz' 2026-02-10T11:43:26,554 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz' 2026-02-10T11:43:26,555 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz' 2026-02-10T11:43:26,556 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz' 2026-02-10T11:43:26,557 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz' 2026-02-10T11:43:26,558 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz' 2026-02-10T11:43:26,560 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz' 2026-02-10T11:43:26,561 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz' 2026-02-10T11:43:26,562 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz' 2026-02-10T11:43:26,563 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz' 2026-02-10T11:43:26,564 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz' 2026-02-10T11:43:26,566 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz' 2026-02-10T11:43:26,567 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz' 2026-02-10T11:43:26,569 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz' 2026-02-10T11:43:26,570 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz' 2026-02-10T11:43:26,571 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz' 2026-02-10T11:43:26,572 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz' 2026-02-10T11:43:26,574 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz' 2026-02-10T11:43:26,576 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz' 2026-02-10T11:43:26,578 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz' 2026-02-10T11:43:26,580 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz' 2026-02-10T11:43:26,582 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz' 2026-02-10T11:43:26,584 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz' 2026-02-10T11:43:26,587 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz' 2026-02-10T11:43:26,589 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz' 2026-02-10T11:43:26,591 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz' 2026-02-10T11:43:26,593 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz' 2026-02-10T11:43:26,595 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz' 2026-02-10T11:43:26,597 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz' 2026-02-10T11:43:26,599 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz' 2026-02-10T11:43:26,601 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz' 2026-02-10T11:43:26,603 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz' 2026-02-10T11:43:26,604 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz' 2026-02-10T11:43:26,606 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz' 2026-02-10T11:43:26,607 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz' 2026-02-10T11:43:26,609 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz' 2026-02-10T11:43:26,610 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz' 2026-02-10T11:43:26,611 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz' 2026-02-10T11:43:26,612 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz' 2026-02-10T11:43:26,613 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz' 2026-02-10T11:43:26,614 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz' 2026-02-10T11:43:26,615 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz' 2026-02-10T11:43:26,617 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz' 2026-02-10T11:43:26,618 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz' 2026-02-10T11:43:26,619 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz' 2026-02-10T11:43:26,620 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz' 2026-02-10T11:43:26,621 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz' 2026-02-10T11:43:26,623 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz' 2026-02-10T11:43:26,624 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz' 2026-02-10T11:43:26,625 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz' 2026-02-10T11:43:26,626 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz' 2026-02-10T11:43:26,627 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz' 2026-02-10T11:43:26,628 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz' 2026-02-10T11:43:26,629 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz' 2026-02-10T11:43:26,631 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz' 2026-02-10T11:43:26,632 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz' 2026-02-10T11:43:26,633 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz' 2026-02-10T11:43:26,634 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz' 2026-02-10T11:43:26,635 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz' 2026-02-10T11:43:26,636 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz' 2026-02-10T11:43:26,637 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz' 2026-02-10T11:43:26,639 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz' 2026-02-10T11:43:26,640 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz' 2026-02-10T11:43:26,641 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz' 2026-02-10T11:43:26,642 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz' 2026-02-10T11:43:26,643 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz' 2026-02-10T11:43:26,644 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz' 2026-02-10T11:43:26,646 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz' 2026-02-10T11:43:26,647 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz' 2026-02-10T11:43:26,648 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz' 2026-02-10T11:43:26,649 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz' 2026-02-10T11:43:26,650 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz' 2026-02-10T11:43:26,651 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz' 2026-02-10T11:43:26,653 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz' 2026-02-10T11:43:26,654 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz' 2026-02-10T11:43:26,656 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz' 2026-02-10T11:43:26,657 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz' 2026-02-10T11:43:26,659 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz' 2026-02-10T11:43:26,661 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz' 2026-02-10T11:43:26,662 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz' 2026-02-10T11:43:26,663 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz' 2026-02-10T11:43:26,664 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz' 2026-02-10T11:43:26,665 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz' 2026-02-10T11:43:26,666 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz' 2026-02-10T11:43:26,668 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz' 2026-02-10T11:43:26,669 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz' 2026-02-10T11:43:26,670 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz' 2026-02-10T11:43:26,671 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz' 2026-02-10T11:43:26,673 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz' 2026-02-10T11:43:26,674 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz' 2026-02-10T11:43:26,675 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz' 2026-02-10T11:43:26,676 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz' 2026-02-10T11:43:26,677 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz' 2026-02-10T11:43:26,679 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz' 2026-02-10T11:43:26,680 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz' 2026-02-10T11:43:26,681 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz' 2026-02-10T11:43:26,683 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz' 2026-02-10T11:43:26,684 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz' 2026-02-10T11:43:26,685 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz' 2026-02-10T11:43:26,686 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz' 2026-02-10T11:43:26,687 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz' 2026-02-10T11:43:26,688 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz' 2026-02-10T11:43:26,689 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz' 2026-02-10T11:43:26,690 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz' 2026-02-10T11:43:26,692 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz' 2026-02-10T11:43:26,693 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz' 2026-02-10T11:43:26,694 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz' 2026-02-10T11:43:26,696 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz' 2026-02-10T11:43:26,697 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz' 2026-02-10T11:43:26,698 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz' 2026-02-10T11:43:26,699 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz' 2026-02-10T11:43:26,701 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz' 2026-02-10T11:43:26,702 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz' 2026-02-10T11:43:26,703 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz' 2026-02-10T11:43:26,704 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz' 2026-02-10T11:43:26,705 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz' 2026-02-10T11:43:26,707 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz' 2026-02-10T11:43:26,708 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz' 2026-02-10T11:43:26,709 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz' 2026-02-10T11:43:26,710 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz' 2026-02-10T11:43:26,711 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz' 2026-02-10T11:43:26,713 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz' 2026-02-10T11:43:26,714 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz' 2026-02-10T11:43:26,715 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz' 2026-02-10T11:43:26,716 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz' 2026-02-10T11:43:26,718 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz' 2026-02-10T11:43:26,719 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz' 2026-02-10T11:43:26,720 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz' 2026-02-10T11:43:26,722 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz' 2026-02-10T11:43:26,723 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz' 2026-02-10T11:43:26,724 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz' 2026-02-10T11:43:26,725 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz' 2026-02-10T11:43:26,727 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz' 2026-02-10T11:43:26,728 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz' 2026-02-10T11:43:26,729 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz' 2026-02-10T11:43:26,730 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz' 2026-02-10T11:43:26,731 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz' 2026-02-10T11:43:26,733 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz' 2026-02-10T11:43:26,734 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz' 2026-02-10T11:43:26,735 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz' 2026-02-10T11:43:26,736 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz' 2026-02-10T11:43:26,737 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz' 2026-02-10T11:43:26,738 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz' 2026-02-10T11:43:26,739 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz' 2026-02-10T11:43:26,741 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz' 2026-02-10T11:43:26,742 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz' 2026-02-10T11:43:26,743 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz' 2026-02-10T11:43:26,744 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz' 2026-02-10T11:43:26,745 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz' 2026-02-10T11:43:26,747 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz' 2026-02-10T11:43:26,748 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz' 2026-02-10T11:43:26,749 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz' 2026-02-10T11:43:26,751 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz' 2026-02-10T11:43:26,752 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz' 2026-02-10T11:43:26,753 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz' 2026-02-10T11:43:26,754 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz' 2026-02-10T11:43:26,756 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz' 2026-02-10T11:43:26,757 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz' 2026-02-10T11:43:26,758 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz' 2026-02-10T11:43:26,759 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz' 2026-02-10T11:43:26,760 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz' 2026-02-10T11:43:26,761 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz' 2026-02-10T11:43:26,762 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz' 2026-02-10T11:43:26,763 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz' 2026-02-10T11:43:26,765 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz' 2026-02-10T11:43:26,766 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz' 2026-02-10T11:43:26,767 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz' 2026-02-10T11:43:26,768 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz' 2026-02-10T11:43:26,769 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz' 2026-02-10T11:43:26,770 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz' 2026-02-10T11:43:26,771 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz' 2026-02-10T11:43:26,772 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz' 2026-02-10T11:43:26,773 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz' 2026-02-10T11:43:26,775 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz' 2026-02-10T11:43:26,776 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz' 2026-02-10T11:43:26,777 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz' 2026-02-10T11:43:26,778 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz' 2026-02-10T11:43:26,779 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz' 2026-02-10T11:43:26,781 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz' 2026-02-10T11:43:26,782 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz' 2026-02-10T11:43:26,783 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz' 2026-02-10T11:43:26,784 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz' 2026-02-10T11:43:26,785 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz' 2026-02-10T11:43:26,787 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz' 2026-02-10T11:43:26,788 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz' 2026-02-10T11:43:26,789 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz' 2026-02-10T11:43:26,790 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz' 2026-02-10T11:43:26,791 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz' 2026-02-10T11:43:26,793 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz' 2026-02-10T11:43:26,794 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz' 2026-02-10T11:43:26,795 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz' 2026-02-10T11:43:26,796 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz' 2026-02-10T11:43:26,797 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz' 2026-02-10T11:43:26,798 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz' 2026-02-10T11:43:26,800 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz' 2026-02-10T11:43:26,801 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz' 2026-02-10T11:43:26,802 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz' 2026-02-10T11:43:26,803 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz' 2026-02-10T11:43:26,805 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz' 2026-02-10T11:43:26,806 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz' 2026-02-10T11:43:26,807 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz' 2026-02-10T11:43:26,808 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz' 2026-02-10T11:43:26,809 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz' 2026-02-10T11:43:26,810 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz' 2026-02-10T11:43:26,811 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz' 2026-02-10T11:43:26,816 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz' 2026-02-10T11:43:26,817 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz' 2026-02-10T11:43:26,818 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz' 2026-02-10T11:43:26,819 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz' 2026-02-10T11:43:26,820 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz' 2026-02-10T11:43:26,821 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz' 2026-02-10T11:43:26,822 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz' 2026-02-10T11:43:26,823 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz' 2026-02-10T11:43:26,824 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz' 2026-02-10T11:43:26,826 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz' 2026-02-10T11:43:26,827 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz' 2026-02-10T11:43:26,828 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz' 2026-02-10T11:43:26,829 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz' 2026-02-10T11:43:26,831 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz' 2026-02-10T11:43:26,832 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz' 2026-02-10T11:43:26,833 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz' 2026-02-10T11:43:26,834 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz' 2026-02-10T11:43:26,835 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz' 2026-02-10T11:43:26,837 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz' 2026-02-10T11:43:26,838 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz' 2026-02-10T11:43:26,839 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz' 2026-02-10T11:43:26,840 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz' 2026-02-10T11:43:26,841 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz' 2026-02-10T11:43:26,842 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz' 2026-02-10T11:43:26,844 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz' 2026-02-10T11:43:26,845 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz' 2026-02-10T11:43:26,846 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz' 2026-02-10T11:43:26,847 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz' 2026-02-10T11:43:26,849 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz' 2026-02-10T11:43:26,850 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz' 2026-02-10T11:43:26,852 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz' 2026-02-10T11:43:26,853 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz' 2026-02-10T11:43:26,854 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz' 2026-02-10T11:43:26,856 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz' 2026-02-10T11:43:26,857 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz' 2026-02-10T11:43:26,858 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz' 2026-02-10T11:43:26,859 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz' 2026-02-10T11:43:26,860 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz' 2026-02-10T11:43:26,862 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz' 2026-02-10T11:43:26,863 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz' 2026-02-10T11:43:26,864 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz' 2026-02-10T11:43:26,865 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz' 2026-02-10T11:43:26,866 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz' 2026-02-10T11:43:26,867 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz' 2026-02-10T11:43:26,869 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz' 2026-02-10T11:43:26,870 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz' 2026-02-10T11:43:26,871 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz' 2026-02-10T11:43:26,872 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz' 2026-02-10T11:43:26,874 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz' 2026-02-10T11:43:26,875 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz' 2026-02-10T11:43:26,876 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz' 2026-02-10T11:43:26,877 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz' 2026-02-10T11:43:26,878 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz' 2026-02-10T11:43:26,880 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz' 2026-02-10T11:43:26,881 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz' 2026-02-10T11:43:26,882 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz' 2026-02-10T11:43:26,883 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz' 2026-02-10T11:43:26,884 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz' 2026-02-10T11:43:26,886 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz' 2026-02-10T11:43:26,887 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz' 2026-02-10T11:43:26,888 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz' 2026-02-10T11:43:26,889 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz' 2026-02-10T11:43:26,890 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz' 2026-02-10T11:43:26,891 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz' 2026-02-10T11:43:26,893 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz' 2026-02-10T11:43:26,894 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz' 2026-02-10T11:43:26,895 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz' 2026-02-10T11:43:26,896 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz' 2026-02-10T11:43:26,897 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz' 2026-02-10T11:43:26,898 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz' 2026-02-10T11:43:26,899 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz' 2026-02-10T11:43:26,901 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz' 2026-02-10T11:43:26,902 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz' 2026-02-10T11:43:26,903 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz' 2026-02-10T11:43:26,904 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz' 2026-02-10T11:43:26,905 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz' 2026-02-10T11:43:26,906 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz' 2026-02-10T11:43:26,908 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz' 2026-02-10T11:43:26,909 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz' 2026-02-10T11:43:26,910 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz' 2026-02-10T11:43:26,911 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz' 2026-02-10T11:43:26,913 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz' 2026-02-10T11:43:26,914 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz' 2026-02-10T11:43:26,915 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz' 2026-02-10T11:43:26,917 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz' 2026-02-10T11:43:26,918 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz' 2026-02-10T11:43:26,919 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz' 2026-02-10T11:43:26,920 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz' 2026-02-10T11:43:26,921 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz' 2026-02-10T11:43:26,922 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz' 2026-02-10T11:43:26,923 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz' 2026-02-10T11:43:26,924 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz' 2026-02-10T11:43:26,926 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz' 2026-02-10T11:43:26,927 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz' 2026-02-10T11:43:26,928 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz' 2026-02-10T11:43:26,930 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz' 2026-02-10T11:43:26,931 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz' 2026-02-10T11:43:26,932 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz' 2026-02-10T11:43:26,933 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz' 2026-02-10T11:43:26,934 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz' 2026-02-10T11:43:26,936 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz' 2026-02-10T11:43:26,937 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz' 2026-02-10T11:43:26,938 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz' 2026-02-10T11:43:26,939 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz' 2026-02-10T11:43:26,940 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz' 2026-02-10T11:43:26,942 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz' 2026-02-10T11:43:26,943 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz' 2026-02-10T11:43:26,944 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz' 2026-02-10T11:43:26,945 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz' 2026-02-10T11:43:26,946 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz' 2026-02-10T11:43:26,947 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz' 2026-02-10T11:43:26,949 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz' 2026-02-10T11:43:26,950 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz' 2026-02-10T11:43:26,951 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz' 2026-02-10T11:43:26,952 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz' 2026-02-10T11:43:26,953 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz' 2026-02-10T11:43:26,955 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz' 2026-02-10T11:43:26,956 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz' 2026-02-10T11:43:26,957 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz' 2026-02-10T11:43:26,958 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz' 2026-02-10T11:43:26,960 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz' 2026-02-10T11:43:26,961 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz' 2026-02-10T11:43:26,962 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz' 2026-02-10T11:43:26,963 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz' 2026-02-10T11:43:26,965 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz' 2026-02-10T11:43:26,966 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz' 2026-02-10T11:43:26,967 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz' 2026-02-10T11:43:26,968 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz' 2026-02-10T11:43:26,969 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz' 2026-02-10T11:43:26,970 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz' 2026-02-10T11:43:26,971 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz' 2026-02-10T11:43:26,972 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz' 2026-02-10T11:43:26,973 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz' 2026-02-10T11:43:26,974 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz' 2026-02-10T11:43:26,975 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz' 2026-02-10T11:43:26,977 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz' 2026-02-10T11:43:26,978 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz' 2026-02-10T11:43:26,979 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz' 2026-02-10T11:43:26,980 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz' 2026-02-10T11:43:26,981 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz' 2026-02-10T11:43:26,982 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz' 2026-02-10T11:43:26,983 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz' 2026-02-10T11:43:26,984 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz' 2026-02-10T11:43:26,986 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz' 2026-02-10T11:43:26,987 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz' 2026-02-10T11:43:26,988 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz' 2026-02-10T11:43:26,990 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz' 2026-02-10T11:43:26,991 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz' 2026-02-10T11:43:26,992 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz' 2026-02-10T11:43:26,993 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz' 2026-02-10T11:43:26,994 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz' 2026-02-10T11:43:26,996 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz' 2026-02-10T11:43:26,997 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz' 2026-02-10T11:43:26,998 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz' 2026-02-10T11:43:26,999 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz' 2026-02-10T11:43:27,000 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz' 2026-02-10T11:43:27,001 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz' 2026-02-10T11:43:27,003 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz' 2026-02-10T11:43:27,004 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz' 2026-02-10T11:43:27,005 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz' 2026-02-10T11:43:27,006 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz' 2026-02-10T11:43:27,007 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz' 2026-02-10T11:43:27,009 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz' 2026-02-10T11:43:27,010 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz' 2026-02-10T11:43:27,011 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz' 2026-02-10T11:43:27,012 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz' 2026-02-10T11:43:27,013 adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz' 2026-02-10T11:43:27,016 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz' 2026-02-10T11:43:27,018 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz' 2026-02-10T11:43:27,019 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz' 2026-02-10T11:43:27,020 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz' 2026-02-10T11:43:27,021 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz' 2026-02-10T11:43:27,023 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz' 2026-02-10T11:43:27,024 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz' 2026-02-10T11:43:27,025 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz' 2026-02-10T11:43:27,026 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz' 2026-02-10T11:43:27,027 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz' 2026-02-10T11:43:27,029 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz' 2026-02-10T11:43:27,030 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz' 2026-02-10T11:43:27,031 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz' 2026-02-10T11:43:27,032 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz' 2026-02-10T11:43:27,033 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz' 2026-02-10T11:43:27,034 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz' 2026-02-10T11:43:27,036 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz' 2026-02-10T11:43:27,037 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz' 2026-02-10T11:43:27,038 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz' 2026-02-10T11:43:27,039 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz' 2026-02-10T11:43:27,040 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz' 2026-02-10T11:43:27,042 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz' 2026-02-10T11:43:27,043 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz' 2026-02-10T11:43:27,044 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz' 2026-02-10T11:43:27,045 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz' 2026-02-10T11:43:27,046 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz' 2026-02-10T11:43:27,048 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz' 2026-02-10T11:43:27,049 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz' 2026-02-10T11:43:27,050 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz' 2026-02-10T11:43:27,051 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz' 2026-02-10T11:43:27,053 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz' 2026-02-10T11:43:27,054 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz' 2026-02-10T11:43:27,056 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz' 2026-02-10T11:43:27,057 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz' 2026-02-10T11:43:27,058 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz' 2026-02-10T11:43:27,060 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz' 2026-02-10T11:43:27,061 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz' 2026-02-10T11:43:27,062 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz' 2026-02-10T11:43:27,063 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz' 2026-02-10T11:43:27,064 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz' 2026-02-10T11:43:27,065 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz' 2026-02-10T11:43:27,067 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz' 2026-02-10T11:43:27,068 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz' 2026-02-10T11:43:27,069 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz' 2026-02-10T11:43:27,070 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz' 2026-02-10T11:43:27,071 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz' 2026-02-10T11:43:27,072 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz' 2026-02-10T11:43:27,073 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz' 2026-02-10T11:43:27,075 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz' 2026-02-10T11:43:27,076 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz' 2026-02-10T11:43:27,078 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz' 2026-02-10T11:43:27,079 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz' 2026-02-10T11:43:27,081 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz' 2026-02-10T11:43:27,082 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz' 2026-02-10T11:43:27,083 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz' 2026-02-10T11:43:27,084 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz' 2026-02-10T11:43:27,086 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz' 2026-02-10T11:43:27,087 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz' 2026-02-10T11:43:27,088 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz' 2026-02-10T11:43:27,089 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz' 2026-02-10T11:43:27,090 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz' 2026-02-10T11:43:27,092 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz' 2026-02-10T11:43:27,093 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz' 2026-02-10T11:43:27,094 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz' 2026-02-10T11:43:27,095 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz' 2026-02-10T11:43:27,097 adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz' 2026-02-10T11:43:27,129 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz' 2026-02-10T11:43:27,131 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz' 2026-02-10T11:43:27,132 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz' 2026-02-10T11:43:27,133 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz' 2026-02-10T11:43:27,135 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz' 2026-02-10T11:43:27,136 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz' 2026-02-10T11:43:27,138 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz' 2026-02-10T11:43:27,139 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz' 2026-02-10T11:43:27,141 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz' 2026-02-10T11:43:27,143 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz' 2026-02-10T11:43:27,144 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz' 2026-02-10T11:43:27,145 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz' 2026-02-10T11:43:27,146 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz' 2026-02-10T11:43:27,148 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz' 2026-02-10T11:43:27,149 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz' 2026-02-10T11:43:27,150 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz' 2026-02-10T11:43:27,151 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz' 2026-02-10T11:43:27,152 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz' 2026-02-10T11:43:27,154 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz' 2026-02-10T11:43:27,155 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz' 2026-02-10T11:43:27,157 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:27,159 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:27,161 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:27,162 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:27,163 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:27,165 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:27,166 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:27,167 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:27,169 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:27,170 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:27,172 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz' 2026-02-10T11:43:27,173 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz' 2026-02-10T11:43:27,174 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz' 2026-02-10T11:43:27,176 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz' 2026-02-10T11:43:27,178 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz' 2026-02-10T11:43:27,179 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz' 2026-02-10T11:43:27,181 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz' 2026-02-10T11:43:27,182 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz' 2026-02-10T11:43:27,183 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz' 2026-02-10T11:43:27,185 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz' 2026-02-10T11:43:27,186 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz' 2026-02-10T11:43:27,188 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz' 2026-02-10T11:43:27,191 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz' 2026-02-10T11:43:27,194 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz' 2026-02-10T11:43:27,197 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz' 2026-02-10T11:43:27,201 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz' 2026-02-10T11:43:27,204 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz' 2026-02-10T11:43:27,207 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz' 2026-02-10T11:43:27,210 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz' 2026-02-10T11:43:27,214 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz' 2026-02-10T11:43:27,217 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:27,220 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:27,224 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:27,227 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:27,230 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:27,233 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:27,236 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:27,239 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:27,242 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:27,245 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:27,248 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz' 2026-02-10T11:43:27,251 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz' 2026-02-10T11:43:27,253 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz' 2026-02-10T11:43:27,254 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz' 2026-02-10T11:43:27,256 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz' 2026-02-10T11:43:27,258 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz' 2026-02-10T11:43:27,260 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz' 2026-02-10T11:43:27,262 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz' 2026-02-10T11:43:27,264 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz' 2026-02-10T11:43:27,266 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz' 2026-02-10T11:43:27,268 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz' 2026-02-10T11:43:27,270 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz' 2026-02-10T11:43:27,273 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz' 2026-02-10T11:43:27,275 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz' 2026-02-10T11:43:27,276 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz' 2026-02-10T11:43:27,278 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz' 2026-02-10T11:43:27,280 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz' 2026-02-10T11:43:27,282 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz' 2026-02-10T11:43:27,285 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz' 2026-02-10T11:43:27,287 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz' 2026-02-10T11:43:27,290 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz' 2026-02-10T11:43:27,292 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz' 2026-02-10T11:43:27,294 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz' 2026-02-10T11:43:27,295 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz' 2026-02-10T11:43:27,297 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz' 2026-02-10T11:43:27,299 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz' 2026-02-10T11:43:27,300 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz' 2026-02-10T11:43:27,301 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz' 2026-02-10T11:43:27,303 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz' 2026-02-10T11:43:27,305 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz' 2026-02-10T11:43:27,307 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:27,308 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:27,310 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:27,312 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:27,313 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:27,315 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:27,316 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:27,317 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:27,318 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:27,319 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:27,321 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz' 2026-02-10T11:43:27,322 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz' 2026-02-10T11:43:27,324 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz' 2026-02-10T11:43:27,325 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz' 2026-02-10T11:43:27,327 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz' 2026-02-10T11:43:27,329 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz' 2026-02-10T11:43:27,330 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz' 2026-02-10T11:43:27,332 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz' 2026-02-10T11:43:27,333 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz' 2026-02-10T11:43:27,335 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz' 2026-02-10T11:43:27,336 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz' 2026-02-10T11:43:27,338 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz' 2026-02-10T11:43:27,340 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz' 2026-02-10T11:43:27,342 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz' 2026-02-10T11:43:27,343 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz' 2026-02-10T11:43:27,345 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz' 2026-02-10T11:43:27,347 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz' 2026-02-10T11:43:27,348 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz' 2026-02-10T11:43:27,350 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz' 2026-02-10T11:43:27,352 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz' 2026-02-10T11:43:27,354 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz' 2026-02-10T11:43:27,356 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz' 2026-02-10T11:43:27,359 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz' 2026-02-10T11:43:27,361 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz' 2026-02-10T11:43:27,364 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz' 2026-02-10T11:43:27,366 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz' 2026-02-10T11:43:27,369 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz' 2026-02-10T11:43:27,371 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz' 2026-02-10T11:43:27,374 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz' 2026-02-10T11:43:27,377 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz' 2026-02-10T11:43:27,379 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz' 2026-02-10T11:43:27,381 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz' 2026-02-10T11:43:27,383 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz' 2026-02-10T11:43:27,384 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz' 2026-02-10T11:43:27,385 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz' 2026-02-10T11:43:27,386 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz' 2026-02-10T11:43:27,387 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz' 2026-02-10T11:43:27,389 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz' 2026-02-10T11:43:27,390 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz' 2026-02-10T11:43:27,391 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz' 2026-02-10T11:43:27,392 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz' 2026-02-10T11:43:27,393 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz' 2026-02-10T11:43:27,394 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz' 2026-02-10T11:43:27,395 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz' 2026-02-10T11:43:27,396 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz' 2026-02-10T11:43:27,398 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz' 2026-02-10T11:43:27,399 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz' 2026-02-10T11:43:27,400 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz' 2026-02-10T11:43:27,401 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz' 2026-02-10T11:43:27,403 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz' 2026-02-10T11:43:27,404 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz' 2026-02-10T11:43:27,405 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz' 2026-02-10T11:43:27,406 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz' 2026-02-10T11:43:27,407 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz' 2026-02-10T11:43:27,409 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz' 2026-02-10T11:43:27,410 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz' 2026-02-10T11:43:27,411 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz' 2026-02-10T11:43:27,412 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz' 2026-02-10T11:43:27,413 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz' 2026-02-10T11:43:27,415 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz' 2026-02-10T11:43:27,416 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz' 2026-02-10T11:43:27,417 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz' 2026-02-10T11:43:27,419 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz' 2026-02-10T11:43:27,420 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz' 2026-02-10T11:43:27,422 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz' 2026-02-10T11:43:27,423 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz' 2026-02-10T11:43:27,425 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz' 2026-02-10T11:43:27,426 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz' 2026-02-10T11:43:27,428 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz' 2026-02-10T11:43:27,429 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz' 2026-02-10T11:43:27,430 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz' 2026-02-10T11:43:27,431 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz' 2026-02-10T11:43:27,433 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz' 2026-02-10T11:43:27,434 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz' 2026-02-10T11:43:27,435 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz' 2026-02-10T11:43:27,437 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz' 2026-02-10T11:43:27,438 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz' 2026-02-10T11:43:27,439 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz' 2026-02-10T11:43:27,440 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz' 2026-02-10T11:43:27,442 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz' 2026-02-10T11:43:27,443 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz' 2026-02-10T11:43:27,445 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz' 2026-02-10T11:43:27,447 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz' 2026-02-10T11:43:27,448 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz' 2026-02-10T11:43:27,450 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz' 2026-02-10T11:43:27,452 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz' 2026-02-10T11:43:27,454 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz' 2026-02-10T11:43:27,456 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz' 2026-02-10T11:43:27,457 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz' 2026-02-10T11:43:27,459 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz' 2026-02-10T11:43:27,460 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz' 2026-02-10T11:43:27,462 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz' 2026-02-10T11:43:27,463 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz' 2026-02-10T11:43:27,465 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz' 2026-02-10T11:43:27,467 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz' 2026-02-10T11:43:27,469 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz' 2026-02-10T11:43:27,471 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz' 2026-02-10T11:43:27,473 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz' 2026-02-10T11:43:27,475 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz' 2026-02-10T11:43:27,476 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz' 2026-02-10T11:43:27,478 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz' 2026-02-10T11:43:27,479 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz' 2026-02-10T11:43:27,480 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz' 2026-02-10T11:43:27,482 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz' 2026-02-10T11:43:27,483 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz' 2026-02-10T11:43:27,484 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz' 2026-02-10T11:43:27,486 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz' 2026-02-10T11:43:27,487 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz' 2026-02-10T11:43:27,489 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz' 2026-02-10T11:43:27,490 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz' 2026-02-10T11:43:27,492 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz' 2026-02-10T11:43:27,493 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz' 2026-02-10T11:43:27,495 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz' 2026-02-10T11:43:27,496 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz' 2026-02-10T11:43:27,497 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz' 2026-02-10T11:43:27,499 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz' 2026-02-10T11:43:27,500 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz' 2026-02-10T11:43:27,501 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz' 2026-02-10T11:43:27,503 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz' 2026-02-10T11:43:27,504 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz' 2026-02-10T11:43:27,505 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz' 2026-02-10T11:43:27,507 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz' 2026-02-10T11:43:27,508 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz' 2026-02-10T11:43:27,509 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz' 2026-02-10T11:43:27,510 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz' 2026-02-10T11:43:27,512 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz' 2026-02-10T11:43:27,513 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz' 2026-02-10T11:43:27,515 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz' 2026-02-10T11:43:27,516 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz' 2026-02-10T11:43:27,518 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz' 2026-02-10T11:43:27,520 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz' 2026-02-10T11:43:27,522 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz' 2026-02-10T11:43:27,524 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz' 2026-02-10T11:43:27,525 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz' 2026-02-10T11:43:27,526 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz' 2026-02-10T11:43:27,528 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz' 2026-02-10T11:43:27,529 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz' 2026-02-10T11:43:27,531 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz' 2026-02-10T11:43:27,532 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz' 2026-02-10T11:43:27,534 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz' 2026-02-10T11:43:27,535 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz' 2026-02-10T11:43:27,536 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz' 2026-02-10T11:43:27,538 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz' 2026-02-10T11:43:27,539 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz' 2026-02-10T11:43:27,540 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz' 2026-02-10T11:43:27,541 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz' 2026-02-10T11:43:27,543 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz' 2026-02-10T11:43:27,544 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz' 2026-02-10T11:43:27,546 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz' 2026-02-10T11:43:27,547 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz' 2026-02-10T11:43:27,549 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz' 2026-02-10T11:43:27,550 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz' 2026-02-10T11:43:27,552 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz' 2026-02-10T11:43:27,553 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz' 2026-02-10T11:43:27,555 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz' 2026-02-10T11:43:27,556 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz' 2026-02-10T11:43:27,558 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz' 2026-02-10T11:43:27,560 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz' 2026-02-10T11:43:27,562 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz' 2026-02-10T11:43:27,564 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz' 2026-02-10T11:43:27,566 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz' 2026-02-10T11:43:27,568 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz' 2026-02-10T11:43:27,570 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz' 2026-02-10T11:43:27,572 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz' 2026-02-10T11:43:27,574 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz' 2026-02-10T11:43:27,577 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz' 2026-02-10T11:43:27,579 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz' 2026-02-10T11:43:27,581 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz' 2026-02-10T11:43:27,584 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz' 2026-02-10T11:43:27,587 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz' 2026-02-10T11:43:27,589 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz' 2026-02-10T11:43:27,592 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz' 2026-02-10T11:43:27,595 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz' 2026-02-10T11:43:27,599 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz' 2026-02-10T11:43:27,602 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz' 2026-02-10T11:43:27,605 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz' 2026-02-10T11:43:27,608 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz' 2026-02-10T11:43:27,611 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz' 2026-02-10T11:43:27,614 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz' 2026-02-10T11:43:27,616 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz' 2026-02-10T11:43:27,617 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz' 2026-02-10T11:43:27,619 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz' 2026-02-10T11:43:27,620 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz' 2026-02-10T11:43:27,622 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz' 2026-02-10T11:43:27,623 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz' 2026-02-10T11:43:27,624 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz' 2026-02-10T11:43:27,626 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz' 2026-02-10T11:43:27,627 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz' 2026-02-10T11:43:27,629 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz' 2026-02-10T11:43:27,630 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz' 2026-02-10T11:43:27,632 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz' 2026-02-10T11:43:27,634 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz' 2026-02-10T11:43:27,636 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz' 2026-02-10T11:43:27,638 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz' 2026-02-10T11:43:27,640 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz' 2026-02-10T11:43:27,642 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz' 2026-02-10T11:43:27,643 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz' 2026-02-10T11:43:27,645 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz' 2026-02-10T11:43:27,647 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz' 2026-02-10T11:43:27,650 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz' 2026-02-10T11:43:27,653 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz' 2026-02-10T11:43:27,655 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz' 2026-02-10T11:43:27,657 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz' 2026-02-10T11:43:27,659 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz' 2026-02-10T11:43:27,660 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz' 2026-02-10T11:43:27,662 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz' 2026-02-10T11:43:27,664 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz' 2026-02-10T11:43:27,665 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz' 2026-02-10T11:43:27,667 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz' 2026-02-10T11:43:27,668 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz' 2026-02-10T11:43:27,670 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz' 2026-02-10T11:43:27,671 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz' 2026-02-10T11:43:27,673 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz' 2026-02-10T11:43:27,674 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz' 2026-02-10T11:43:27,676 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz' 2026-02-10T11:43:27,677 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz' 2026-02-10T11:43:27,679 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz' 2026-02-10T11:43:27,680 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz' 2026-02-10T11:43:27,682 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz' 2026-02-10T11:43:27,683 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz' 2026-02-10T11:43:27,685 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz' 2026-02-10T11:43:27,686 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz' 2026-02-10T11:43:27,688 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz' 2026-02-10T11:43:27,689 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz' 2026-02-10T11:43:27,691 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz' 2026-02-10T11:43:27,692 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz' 2026-02-10T11:43:27,694 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz' 2026-02-10T11:43:27,695 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz' 2026-02-10T11:43:27,697 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz' 2026-02-10T11:43:27,698 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz' 2026-02-10T11:43:27,700 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,702 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,704 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,705 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,707 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,709 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,710 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,712 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,714 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,716 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,717 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,719 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,721 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,722 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,724 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,726 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,727 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,729 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,731 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,732 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,734 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,735 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,737 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,739 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,741 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,742 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,744 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,746 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,747 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,749 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,751 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,752 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,754 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,756 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,757 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,759 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,761 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,763 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,764 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,766 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,768 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,770 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,771 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,773 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,774 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,776 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,778 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,779 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,781 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,783 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,785 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,786 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,788 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,790 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,791 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,793 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,794 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,796 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,797 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,799 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,801 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,802 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,804 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,806 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,807 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,809 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,810 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,812 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,814 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,816 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,817 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,819 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,821 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,822 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,824 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,826 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,827 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,829 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,831 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,833 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,834 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,836 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,838 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,839 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,841 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,843 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,844 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,845 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,847 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,848 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,849 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,850 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,851 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,853 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,854 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,855 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,856 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,858 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,859 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,861 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,862 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,863 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,865 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,866 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,867 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,868 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,869 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,871 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,872 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,873 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,875 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,876 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,877 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,879 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,880 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,881 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,883 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,884 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,885 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,887 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,888 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz' 2026-02-10T11:43:27,889 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz' 2026-02-10T11:43:27,891 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz' 2026-02-10T11:43:27,892 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz' 2026-02-10T11:43:27,893 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz' 2026-02-10T11:43:27,894 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz' 2026-02-10T11:43:27,896 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz' 2026-02-10T11:43:27,897 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz' 2026-02-10T11:43:27,898 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz' 2026-02-10T11:43:27,899 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz' 2026-02-10T11:43:27,901 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz' 2026-02-10T11:43:27,902 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz' 2026-02-10T11:43:27,903 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz' 2026-02-10T11:43:27,904 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz' 2026-02-10T11:43:27,905 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz' 2026-02-10T11:43:27,907 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz' 2026-02-10T11:43:27,908 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz' 2026-02-10T11:43:27,909 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz' 2026-02-10T11:43:27,911 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz' 2026-02-10T11:43:27,912 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz' 2026-02-10T11:43:27,913 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz' 2026-02-10T11:43:27,915 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz' 2026-02-10T11:43:27,916 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz' 2026-02-10T11:43:27,917 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz' 2026-02-10T11:43:27,918 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz' 2026-02-10T11:43:27,920 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz' 2026-02-10T11:43:27,921 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz' 2026-02-10T11:43:27,923 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz' 2026-02-10T11:43:27,924 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz' 2026-02-10T11:43:27,925 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz' 2026-02-10T11:43:27,926 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz' 2026-02-10T11:43:27,928 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz' 2026-02-10T11:43:27,929 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz' 2026-02-10T11:43:27,930 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz' 2026-02-10T11:43:27,932 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz' 2026-02-10T11:43:27,933 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz' 2026-02-10T11:43:27,934 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz' 2026-02-10T11:43:27,935 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz' 2026-02-10T11:43:27,937 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz' 2026-02-10T11:43:27,938 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz' 2026-02-10T11:43:27,939 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz' 2026-02-10T11:43:27,940 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz' 2026-02-10T11:43:27,941 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz' 2026-02-10T11:43:27,943 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz' 2026-02-10T11:43:27,944 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz' 2026-02-10T11:43:27,945 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz' 2026-02-10T11:43:27,946 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz' 2026-02-10T11:43:27,947 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz' 2026-02-10T11:43:27,949 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz' 2026-02-10T11:43:27,950 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz' 2026-02-10T11:43:27,951 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz' 2026-02-10T11:43:27,952 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz' 2026-02-10T11:43:27,954 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz' 2026-02-10T11:43:27,955 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz' 2026-02-10T11:43:27,956 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz' 2026-02-10T11:43:27,957 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz' 2026-02-10T11:43:27,958 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz' 2026-02-10T11:43:27,960 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz' 2026-02-10T11:43:27,961 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz' 2026-02-10T11:43:27,962 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz' 2026-02-10T11:43:27,964 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:27,965 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:27,966 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:27,968 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:27,969 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:27,970 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:27,972 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:27,973 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:27,974 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:27,976 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:27,977 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz' 2026-02-10T11:43:27,978 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz' 2026-02-10T11:43:27,980 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz' 2026-02-10T11:43:27,981 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz' 2026-02-10T11:43:27,982 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz' 2026-02-10T11:43:27,984 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz' 2026-02-10T11:43:27,985 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz' 2026-02-10T11:43:27,986 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz' 2026-02-10T11:43:27,988 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz' 2026-02-10T11:43:27,989 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz' 2026-02-10T11:43:27,990 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:27,992 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:27,993 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:27,994 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:27,996 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:27,997 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:27,998 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:28,000 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:28,001 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:28,002 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:28,004 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:28,006 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:28,007 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:28,009 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:28,011 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:28,013 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:28,015 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:28,017 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:28,019 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:28,021 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:28,024 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz' 2026-02-10T11:43:28,026 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz' 2026-02-10T11:43:28,028 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz' 2026-02-10T11:43:28,031 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz' 2026-02-10T11:43:28,034 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz' 2026-02-10T11:43:28,035 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz' 2026-02-10T11:43:28,037 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz' 2026-02-10T11:43:28,039 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz' 2026-02-10T11:43:28,040 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz' 2026-02-10T11:43:28,041 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz' 2026-02-10T11:43:28,042 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz' 2026-02-10T11:43:28,044 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz' 2026-02-10T11:43:28,045 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz' 2026-02-10T11:43:28,046 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz' 2026-02-10T11:43:28,047 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz' 2026-02-10T11:43:28,049 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz' 2026-02-10T11:43:28,050 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz' 2026-02-10T11:43:28,052 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz' 2026-02-10T11:43:28,054 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz' 2026-02-10T11:43:28,055 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz' 2026-02-10T11:43:28,057 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz' 2026-02-10T11:43:28,059 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz' 2026-02-10T11:43:28,061 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz' 2026-02-10T11:43:28,063 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz' 2026-02-10T11:43:28,064 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz' 2026-02-10T11:43:28,066 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz' 2026-02-10T11:43:28,068 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz' 2026-02-10T11:43:28,070 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz' 2026-02-10T11:43:28,073 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz' 2026-02-10T11:43:28,075 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz' 2026-02-10T11:43:28,078 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz' 2026-02-10T11:43:28,080 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz' 2026-02-10T11:43:28,083 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz' 2026-02-10T11:43:28,085 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz' 2026-02-10T11:43:28,088 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz' 2026-02-10T11:43:28,090 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz' 2026-02-10T11:43:28,093 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz' 2026-02-10T11:43:28,095 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz' 2026-02-10T11:43:28,098 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz' 2026-02-10T11:43:28,101 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz' 2026-02-10T11:43:28,104 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz' 2026-02-10T11:43:28,108 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz' 2026-02-10T11:43:28,111 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz' 2026-02-10T11:43:28,115 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz' 2026-02-10T11:43:28,118 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz' 2026-02-10T11:43:28,119 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz' 2026-02-10T11:43:28,121 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz' 2026-02-10T11:43:28,122 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz' 2026-02-10T11:43:28,123 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz' 2026-02-10T11:43:28,124 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz' 2026-02-10T11:43:28,126 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz' 2026-02-10T11:43:28,127 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz' 2026-02-10T11:43:28,128 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz' 2026-02-10T11:43:28,130 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz' 2026-02-10T11:43:28,131 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz' 2026-02-10T11:43:28,133 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz' 2026-02-10T11:43:28,134 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz' 2026-02-10T11:43:28,136 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz' 2026-02-10T11:43:28,137 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz' 2026-02-10T11:43:28,139 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz' 2026-02-10T11:43:28,140 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz' 2026-02-10T11:43:28,142 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz' 2026-02-10T11:43:28,144 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz' 2026-02-10T11:43:28,145 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz' 2026-02-10T11:43:28,146 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz' 2026-02-10T11:43:28,147 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz' 2026-02-10T11:43:28,149 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz' 2026-02-10T11:43:28,150 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz' 2026-02-10T11:43:28,152 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz' 2026-02-10T11:43:28,154 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz' 2026-02-10T11:43:28,156 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz' 2026-02-10T11:43:28,158 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz' 2026-02-10T11:43:28,161 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz' 2026-02-10T11:43:28,163 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz' 2026-02-10T11:43:28,166 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz' 2026-02-10T11:43:28,169 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz' 2026-02-10T11:43:28,171 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz' 2026-02-10T11:43:28,174 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz' 2026-02-10T11:43:28,177 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz' 2026-02-10T11:43:28,181 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz' 2026-02-10T11:43:28,184 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz' 2026-02-10T11:43:28,187 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz' 2026-02-10T11:43:28,190 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz' 2026-02-10T11:43:28,194 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz' 2026-02-10T11:43:28,197 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz' 2026-02-10T11:43:28,200 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz' 2026-02-10T11:43:28,203 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz' 2026-02-10T11:43:28,205 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz' 2026-02-10T11:43:28,207 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz' 2026-02-10T11:43:28,209 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz' 2026-02-10T11:43:28,210 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz' 2026-02-10T11:43:28,212 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz' 2026-02-10T11:43:28,214 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz' 2026-02-10T11:43:28,216 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz' 2026-02-10T11:43:28,219 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz' 2026-02-10T11:43:28,222 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz' 2026-02-10T11:43:28,226 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz' 2026-02-10T11:43:28,230 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz' 2026-02-10T11:43:28,234 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz' 2026-02-10T11:43:28,238 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz' 2026-02-10T11:43:28,242 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz' 2026-02-10T11:43:28,245 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz' 2026-02-10T11:43:28,249 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz' 2026-02-10T11:43:28,252 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz' 2026-02-10T11:43:28,255 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz' 2026-02-10T11:43:28,258 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz' 2026-02-10T11:43:28,260 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz' 2026-02-10T11:43:28,262 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz' 2026-02-10T11:43:28,263 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz' 2026-02-10T11:43:28,265 adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz' 2026-02-10T11:43:28,268 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:28,270 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz' 2026-02-10T11:43:28,271 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz' 2026-02-10T11:43:28,273 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz' 2026-02-10T11:43:28,275 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz' 2026-02-10T11:43:28,276 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz' 2026-02-10T11:43:28,277 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz' 2026-02-10T11:43:28,279 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz' 2026-02-10T11:43:28,281 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz' 2026-02-10T11:43:28,282 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz' 2026-02-10T11:43:28,284 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz' 2026-02-10T11:43:28,285 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:28,287 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz' 2026-02-10T11:43:28,289 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz' 2026-02-10T11:43:28,290 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz' 2026-02-10T11:43:28,292 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz' 2026-02-10T11:43:28,293 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz' 2026-02-10T11:43:28,295 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz' 2026-02-10T11:43:28,296 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz' 2026-02-10T11:43:28,298 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz' 2026-02-10T11:43:28,299 adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz' 2026-02-10T11:43:28,302 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz' 2026-02-10T11:43:28,304 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz' 2026-02-10T11:43:28,306 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz' 2026-02-10T11:43:28,307 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz' 2026-02-10T11:43:28,309 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz' 2026-02-10T11:43:28,311 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz' 2026-02-10T11:43:28,312 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz' 2026-02-10T11:43:28,314 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz' 2026-02-10T11:43:28,315 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz' 2026-02-10T11:43:28,317 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz' 2026-02-10T11:43:28,319 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz' 2026-02-10T11:43:28,321 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz' 2026-02-10T11:43:28,323 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz' 2026-02-10T11:43:28,324 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz' 2026-02-10T11:43:28,326 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz' 2026-02-10T11:43:28,327 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz' 2026-02-10T11:43:28,329 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz' 2026-02-10T11:43:28,331 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz' 2026-02-10T11:43:28,332 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz' 2026-02-10T11:43:28,334 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz' 2026-02-10T11:43:28,336 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz' 2026-02-10T11:43:28,337 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz' 2026-02-10T11:43:28,339 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz' 2026-02-10T11:43:28,341 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz' 2026-02-10T11:43:28,342 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz' 2026-02-10T11:43:28,344 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz' 2026-02-10T11:43:28,346 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz' 2026-02-10T11:43:28,348 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz' 2026-02-10T11:43:28,349 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz' 2026-02-10T11:43:28,351 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz' 2026-02-10T11:43:28,353 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz' 2026-02-10T11:43:28,355 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz' 2026-02-10T11:43:28,357 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz' 2026-02-10T11:43:28,358 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz' 2026-02-10T11:43:28,360 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz' 2026-02-10T11:43:28,361 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz' 2026-02-10T11:43:28,362 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz' 2026-02-10T11:43:28,363 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz' 2026-02-10T11:43:28,364 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz' 2026-02-10T11:43:28,366 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz' 2026-02-10T11:43:28,367 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz' 2026-02-10T11:43:28,368 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz' 2026-02-10T11:43:28,369 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz' 2026-02-10T11:43:28,370 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz' 2026-02-10T11:43:28,372 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz' 2026-02-10T11:43:28,373 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz' 2026-02-10T11:43:28,374 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz' 2026-02-10T11:43:28,375 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz' 2026-02-10T11:43:28,376 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz' 2026-02-10T11:43:28,378 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz' 2026-02-10T11:43:28,379 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz' 2026-02-10T11:43:28,380 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz' 2026-02-10T11:43:28,381 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz' 2026-02-10T11:43:28,383 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz' 2026-02-10T11:43:28,384 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz' 2026-02-10T11:43:28,385 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz' 2026-02-10T11:43:28,386 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz' 2026-02-10T11:43:28,388 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz' 2026-02-10T11:43:28,389 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz' 2026-02-10T11:43:28,390 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz' 2026-02-10T11:43:28,391 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz' 2026-02-10T11:43:28,392 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz' 2026-02-10T11:43:28,394 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz' 2026-02-10T11:43:28,396 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz' 2026-02-10T11:43:28,397 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz' 2026-02-10T11:43:28,398 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz' 2026-02-10T11:43:28,400 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz' 2026-02-10T11:43:28,401 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz' 2026-02-10T11:43:28,402 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz' 2026-02-10T11:43:28,404 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz' 2026-02-10T11:43:28,405 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz' 2026-02-10T11:43:28,406 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz' 2026-02-10T11:43:28,408 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz' 2026-02-10T11:43:28,409 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz' 2026-02-10T11:43:28,411 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz' 2026-02-10T11:43:28,412 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz' 2026-02-10T11:43:28,413 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz' 2026-02-10T11:43:28,415 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz' 2026-02-10T11:43:28,416 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz' 2026-02-10T11:43:28,417 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz' 2026-02-10T11:43:28,419 adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz' 2026-02-10T11:43:28,421 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz' 2026-02-10T11:43:28,422 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz' 2026-02-10T11:43:28,423 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz' 2026-02-10T11:43:28,424 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz' 2026-02-10T11:43:28,425 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz' 2026-02-10T11:43:28,426 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz' 2026-02-10T11:43:28,427 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz' 2026-02-10T11:43:28,429 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz' 2026-02-10T11:43:28,430 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz' 2026-02-10T11:43:28,432 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz' 2026-02-10T11:43:28,433 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz' 2026-02-10T11:43:28,434 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz' 2026-02-10T11:43:28,435 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz' 2026-02-10T11:43:28,436 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz' 2026-02-10T11:43:28,438 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz' 2026-02-10T11:43:28,439 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz' 2026-02-10T11:43:28,440 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz' 2026-02-10T11:43:28,442 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz' 2026-02-10T11:43:28,443 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz' 2026-02-10T11:43:28,444 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz' 2026-02-10T11:43:28,445 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz' 2026-02-10T11:43:28,447 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz' 2026-02-10T11:43:28,448 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz' 2026-02-10T11:43:28,449 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz' 2026-02-10T11:43:28,451 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz' 2026-02-10T11:43:28,452 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz' 2026-02-10T11:43:28,453 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz' 2026-02-10T11:43:28,454 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz' 2026-02-10T11:43:28,455 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz' 2026-02-10T11:43:28,457 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz' 2026-02-10T11:43:28,458 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz' 2026-02-10T11:43:28,459 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz' 2026-02-10T11:43:28,460 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz' 2026-02-10T11:43:28,462 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz' 2026-02-10T11:43:28,463 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz' 2026-02-10T11:43:28,464 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz' 2026-02-10T11:43:28,466 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz' 2026-02-10T11:43:28,468 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz' 2026-02-10T11:43:28,469 adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz' 2026-02-10T11:43:28,472 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz' 2026-02-10T11:43:28,473 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz' 2026-02-10T11:43:28,474 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz' 2026-02-10T11:43:28,475 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz' 2026-02-10T11:43:28,476 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz' 2026-02-10T11:43:28,478 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz' 2026-02-10T11:43:28,480 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz' 2026-02-10T11:43:28,482 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz' 2026-02-10T11:43:28,483 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz' 2026-02-10T11:43:28,484 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz' 2026-02-10T11:43:28,486 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz' 2026-02-10T11:43:28,487 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz' 2026-02-10T11:43:28,488 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz' 2026-02-10T11:43:28,489 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz' 2026-02-10T11:43:28,491 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz' 2026-02-10T11:43:28,492 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz' 2026-02-10T11:43:28,493 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz' 2026-02-10T11:43:28,494 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz' 2026-02-10T11:43:28,495 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz' 2026-02-10T11:43:28,497 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz' 2026-02-10T11:43:28,498 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz' 2026-02-10T11:43:28,499 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz' 2026-02-10T11:43:28,500 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz' 2026-02-10T11:43:28,502 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz' 2026-02-10T11:43:28,503 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz' 2026-02-10T11:43:28,504 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz' 2026-02-10T11:43:28,505 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz' 2026-02-10T11:43:28,506 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz' 2026-02-10T11:43:28,507 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz' 2026-02-10T11:43:28,509 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz' 2026-02-10T11:43:28,510 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz' 2026-02-10T11:43:28,511 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz' 2026-02-10T11:43:28,512 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz' 2026-02-10T11:43:28,514 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz' 2026-02-10T11:43:28,515 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz' 2026-02-10T11:43:28,516 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz' 2026-02-10T11:43:28,517 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz' 2026-02-10T11:43:28,519 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz' 2026-02-10T11:43:28,520 adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz' 2026-02-10T11:43:28,522 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz' 2026-02-10T11:43:28,523 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz' 2026-02-10T11:43:28,524 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz' 2026-02-10T11:43:28,525 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz' 2026-02-10T11:43:28,526 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz' 2026-02-10T11:43:28,527 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz' 2026-02-10T11:43:28,529 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz' 2026-02-10T11:43:28,530 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz' 2026-02-10T11:43:28,531 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz' 2026-02-10T11:43:28,532 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz' 2026-02-10T11:43:28,533 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz' 2026-02-10T11:43:28,534 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz' 2026-02-10T11:43:28,536 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz' 2026-02-10T11:43:28,537 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz' 2026-02-10T11:43:28,538 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz' 2026-02-10T11:43:28,539 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz' 2026-02-10T11:43:28,540 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz' 2026-02-10T11:43:28,542 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz' 2026-02-10T11:43:28,543 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz' 2026-02-10T11:43:28,544 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz' 2026-02-10T11:43:28,545 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz' 2026-02-10T11:43:28,546 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz' 2026-02-10T11:43:28,547 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz' 2026-02-10T11:43:28,549 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz' 2026-02-10T11:43:28,550 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz' 2026-02-10T11:43:28,551 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz' 2026-02-10T11:43:28,553 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz' 2026-02-10T11:43:28,554 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz' 2026-02-10T11:43:28,555 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz' 2026-02-10T11:43:28,556 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz' 2026-02-10T11:43:28,557 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz' 2026-02-10T11:43:28,559 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz' 2026-02-10T11:43:28,560 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz' 2026-02-10T11:43:28,561 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz' 2026-02-10T11:43:28,563 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz' 2026-02-10T11:43:28,564 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz' 2026-02-10T11:43:28,565 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz' 2026-02-10T11:43:28,567 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz' 2026-02-10T11:43:28,568 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz' 2026-02-10T11:43:28,569 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz' 2026-02-10T11:43:28,570 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz' 2026-02-10T11:43:28,572 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz' 2026-02-10T11:43:28,573 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz' 2026-02-10T11:43:28,575 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz' 2026-02-10T11:43:28,576 adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz' 2026-02-10T11:43:28,578 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz' 2026-02-10T11:43:28,579 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz' 2026-02-10T11:43:28,580 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz' 2026-02-10T11:43:28,582 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz' 2026-02-10T11:43:28,583 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz' 2026-02-10T11:43:28,584 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz' 2026-02-10T11:43:28,585 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz' 2026-02-10T11:43:28,586 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz' 2026-02-10T11:43:28,587 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz' 2026-02-10T11:43:28,589 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz' 2026-02-10T11:43:28,590 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz' 2026-02-10T11:43:28,591 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz' 2026-02-10T11:43:28,592 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz' 2026-02-10T11:43:28,593 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz' 2026-02-10T11:43:28,594 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz' 2026-02-10T11:43:28,595 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz' 2026-02-10T11:43:28,597 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz' 2026-02-10T11:43:28,598 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz' 2026-02-10T11:43:28,599 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz' 2026-02-10T11:43:28,601 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz' 2026-02-10T11:43:28,602 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz' 2026-02-10T11:43:28,603 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz' 2026-02-10T11:43:28,604 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz' 2026-02-10T11:43:28,605 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz' 2026-02-10T11:43:28,606 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz' 2026-02-10T11:43:28,607 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz' 2026-02-10T11:43:28,609 adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz' 2026-02-10T11:43:28,613 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz' 2026-02-10T11:43:28,614 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz' 2026-02-10T11:43:28,615 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz' 2026-02-10T11:43:28,616 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz' 2026-02-10T11:43:28,617 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz' 2026-02-10T11:43:28,619 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz' 2026-02-10T11:43:28,620 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz' 2026-02-10T11:43:28,621 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz' 2026-02-10T11:43:28,623 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz' 2026-02-10T11:43:28,624 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz' 2026-02-10T11:43:28,625 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz' 2026-02-10T11:43:28,626 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz' 2026-02-10T11:43:28,627 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz' 2026-02-10T11:43:28,628 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz' 2026-02-10T11:43:28,629 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz' 2026-02-10T11:43:28,631 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz' 2026-02-10T11:43:28,632 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz' 2026-02-10T11:43:28,633 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz' 2026-02-10T11:43:28,634 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz' 2026-02-10T11:43:28,635 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz' 2026-02-10T11:43:28,636 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz' 2026-02-10T11:43:28,638 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz' 2026-02-10T11:43:28,639 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz' 2026-02-10T11:43:28,640 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz' 2026-02-10T11:43:28,642 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz' 2026-02-10T11:43:28,643 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz' 2026-02-10T11:43:28,645 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz' 2026-02-10T11:43:28,646 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz' 2026-02-10T11:43:28,648 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz' 2026-02-10T11:43:28,650 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz' 2026-02-10T11:43:28,651 adding 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2026-02-10T11:43:28,693 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz' 2026-02-10T11:43:28,694 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz' 2026-02-10T11:43:28,695 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz' 2026-02-10T11:43:28,696 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz' 2026-02-10T11:43:28,697 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz' 2026-02-10T11:43:28,698 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz' 2026-02-10T11:43:28,699 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz' 2026-02-10T11:43:28,701 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz' 2026-02-10T11:43:28,702 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz' 2026-02-10T11:43:28,703 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz' 2026-02-10T11:43:28,704 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz' 2026-02-10T11:43:28,705 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz' 2026-02-10T11:43:28,706 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz' 2026-02-10T11:43:28,707 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz' 2026-02-10T11:43:28,708 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz' 2026-02-10T11:43:28,710 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz' 2026-02-10T11:43:28,711 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz' 2026-02-10T11:43:28,712 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz' 2026-02-10T11:43:28,713 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz' 2026-02-10T11:43:28,714 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz' 2026-02-10T11:43:28,715 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz' 2026-02-10T11:43:28,716 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz' 2026-02-10T11:43:28,717 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz' 2026-02-10T11:43:28,719 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz' 2026-02-10T11:43:28,720 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz' 2026-02-10T11:43:28,721 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz' 2026-02-10T11:43:28,722 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz' 2026-02-10T11:43:28,723 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz' 2026-02-10T11:43:28,724 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz' 2026-02-10T11:43:28,725 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz' 2026-02-10T11:43:28,727 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz' 2026-02-10T11:43:28,728 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz' 2026-02-10T11:43:28,729 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz' 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2026-02-10T11:43:28,754 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz' 2026-02-10T11:43:28,755 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz' 2026-02-10T11:43:28,756 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz' 2026-02-10T11:43:28,757 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz' 2026-02-10T11:43:28,758 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz' 2026-02-10T11:43:28,760 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz' 2026-02-10T11:43:28,761 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz' 2026-02-10T11:43:28,762 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz' 2026-02-10T11:43:28,763 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz' 2026-02-10T11:43:28,764 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz' 2026-02-10T11:43:28,765 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz' 2026-02-10T11:43:28,767 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz' 2026-02-10T11:43:28,768 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz' 2026-02-10T11:43:28,769 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz' 2026-02-10T11:43:28,770 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz' 2026-02-10T11:43:28,771 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz' 2026-02-10T11:43:28,772 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz' 2026-02-10T11:43:28,773 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz' 2026-02-10T11:43:28,775 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz' 2026-02-10T11:43:28,776 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz' 2026-02-10T11:43:28,777 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz' 2026-02-10T11:43:28,778 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz' 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2026-02-10T11:43:28,791 adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz' 2026-02-10T11:43:28,793 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz' 2026-02-10T11:43:28,794 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz' 2026-02-10T11:43:28,795 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz' 2026-02-10T11:43:28,796 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz' 2026-02-10T11:43:28,797 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz' 2026-02-10T11:43:28,799 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz' 2026-02-10T11:43:28,800 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz' 2026-02-10T11:43:28,801 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz' 2026-02-10T11:43:28,802 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz' 2026-02-10T11:43:28,803 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz' 2026-02-10T11:43:28,805 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz' 2026-02-10T11:43:28,806 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz' 2026-02-10T11:43:28,807 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz' 2026-02-10T11:43:28,808 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz' 2026-02-10T11:43:28,809 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz' 2026-02-10T11:43:28,811 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz' 2026-02-10T11:43:28,812 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz' 2026-02-10T11:43:28,813 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz' 2026-02-10T11:43:28,814 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz' 2026-02-10T11:43:28,815 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz' 2026-02-10T11:43:28,817 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz' 2026-02-10T11:43:28,818 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz' 2026-02-10T11:43:28,819 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz' 2026-02-10T11:43:28,820 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz' 2026-02-10T11:43:28,821 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz' 2026-02-10T11:43:28,822 adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz' 2026-02-10T11:43:28,825 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,826 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,827 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,828 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,829 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,831 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,832 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,833 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,834 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz' 2026-02-10T11:43:28,835 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,836 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,837 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,838 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,839 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,840 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,841 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,842 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,844 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz' 2026-02-10T11:43:28,845 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,846 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,847 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,848 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,850 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,851 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,852 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,853 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,854 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz' 2026-02-10T11:43:28,855 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,857 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,858 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,859 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,860 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,862 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,863 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz' 2026-02-10T11:43:28,864 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz' 2026-02-10T11:43:28,865 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz' 2026-02-10T11:43:28,866 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz' 2026-02-10T11:43:28,867 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz' 2026-02-10T11:43:28,869 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz' 2026-02-10T11:43:28,870 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz' 2026-02-10T11:43:28,871 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz' 2026-02-10T11:43:28,872 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz' 2026-02-10T11:43:28,873 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz' 2026-02-10T11:43:28,875 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,876 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,878 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,879 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,880 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,881 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz' 2026-02-10T11:43:28,882 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz' 2026-02-10T11:43:28,883 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz' 2026-02-10T11:43:28,884 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz' 2026-02-10T11:43:28,885 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz' 2026-02-10T11:43:28,886 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz' 2026-02-10T11:43:28,887 adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz' 2026-02-10T11:43:28,890 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz' 2026-02-10T11:43:28,892 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz' 2026-02-10T11:43:28,893 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz' 2026-02-10T11:43:28,894 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz' 2026-02-10T11:43:28,895 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz' 2026-02-10T11:43:28,896 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz' 2026-02-10T11:43:28,897 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz' 2026-02-10T11:43:28,898 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz' 2026-02-10T11:43:28,899 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz' 2026-02-10T11:43:28,901 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz' 2026-02-10T11:43:28,902 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz' 2026-02-10T11:43:28,903 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz' 2026-02-10T11:43:28,904 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz' 2026-02-10T11:43:28,905 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz' 2026-02-10T11:43:28,906 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz' 2026-02-10T11:43:28,908 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz' 2026-02-10T11:43:28,909 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz' 2026-02-10T11:43:28,910 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz' 2026-02-10T11:43:28,911 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz' 2026-02-10T11:43:28,912 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz' 2026-02-10T11:43:28,913 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz' 2026-02-10T11:43:28,914 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz' 2026-02-10T11:43:28,916 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz' 2026-02-10T11:43:28,917 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz' 2026-02-10T11:43:28,918 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz' 2026-02-10T11:43:28,919 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz' 2026-02-10T11:43:28,921 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz' 2026-02-10T11:43:28,922 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz' 2026-02-10T11:43:28,923 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz' 2026-02-10T11:43:28,924 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz' 2026-02-10T11:43:28,925 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz' 2026-02-10T11:43:28,926 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz' 2026-02-10T11:43:28,927 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz' 2026-02-10T11:43:28,928 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:28,930 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:28,931 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:28,932 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:28,933 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:28,934 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:28,936 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:28,937 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:28,938 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:28,939 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz' 2026-02-10T11:43:28,940 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz' 2026-02-10T11:43:28,941 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz' 2026-02-10T11:43:28,943 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz' 2026-02-10T11:43:28,944 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz' 2026-02-10T11:43:28,945 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz' 2026-02-10T11:43:28,946 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz' 2026-02-10T11:43:28,947 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz' 2026-02-10T11:43:28,949 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz' 2026-02-10T11:43:28,950 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz' 2026-02-10T11:43:28,951 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz' 2026-02-10T11:43:28,953 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz' 2026-02-10T11:43:28,954 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz' 2026-02-10T11:43:28,955 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz' 2026-02-10T11:43:28,957 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz' 2026-02-10T11:43:28,958 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz' 2026-02-10T11:43:28,959 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz' 2026-02-10T11:43:28,960 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz' 2026-02-10T11:43:28,961 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz' 2026-02-10T11:43:28,963 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz' 2026-02-10T11:43:28,964 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz' 2026-02-10T11:43:28,965 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz' 2026-02-10T11:43:28,966 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz' 2026-02-10T11:43:28,967 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz' 2026-02-10T11:43:28,968 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz' 2026-02-10T11:43:28,969 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz' 2026-02-10T11:43:28,970 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz' 2026-02-10T11:43:28,972 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz' 2026-02-10T11:43:28,973 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz' 2026-02-10T11:43:28,974 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz' 2026-02-10T11:43:28,975 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz' 2026-02-10T11:43:28,976 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz' 2026-02-10T11:43:28,977 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz' 2026-02-10T11:43:28,978 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz' 2026-02-10T11:43:28,979 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz' 2026-02-10T11:43:28,980 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz' 2026-02-10T11:43:28,981 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz' 2026-02-10T11:43:28,983 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz' 2026-02-10T11:43:28,984 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz' 2026-02-10T11:43:28,985 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz' 2026-02-10T11:43:28,986 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz' 2026-02-10T11:43:28,987 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz' 2026-02-10T11:43:28,988 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz' 2026-02-10T11:43:28,989 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz' 2026-02-10T11:43:28,990 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz' 2026-02-10T11:43:28,992 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz' 2026-02-10T11:43:28,993 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz' 2026-02-10T11:43:28,994 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz' 2026-02-10T11:43:28,995 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz' 2026-02-10T11:43:28,996 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz' 2026-02-10T11:43:28,997 adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz' 2026-02-10T11:43:28,999 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz' 2026-02-10T11:43:29,000 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz' 2026-02-10T11:43:29,001 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz' 2026-02-10T11:43:29,003 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz' 2026-02-10T11:43:29,004 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz' 2026-02-10T11:43:29,005 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz' 2026-02-10T11:43:29,006 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz' 2026-02-10T11:43:29,007 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz' 2026-02-10T11:43:29,009 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz' 2026-02-10T11:43:29,010 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz' 2026-02-10T11:43:29,011 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz' 2026-02-10T11:43:29,012 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz' 2026-02-10T11:43:29,013 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz' 2026-02-10T11:43:29,014 adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz' 2026-02-10T11:43:29,016 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz' 2026-02-10T11:43:29,017 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz' 2026-02-10T11:43:29,018 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz' 2026-02-10T11:43:29,019 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz' 2026-02-10T11:43:29,020 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz' 2026-02-10T11:43:29,021 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz' 2026-02-10T11:43:29,022 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz' 2026-02-10T11:43:29,024 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz' 2026-02-10T11:43:29,025 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz' 2026-02-10T11:43:29,026 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz' 2026-02-10T11:43:29,027 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz' 2026-02-10T11:43:29,028 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz' 2026-02-10T11:43:29,029 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz' 2026-02-10T11:43:29,030 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz' 2026-02-10T11:43:29,031 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz' 2026-02-10T11:43:29,033 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz' 2026-02-10T11:43:29,034 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz' 2026-02-10T11:43:29,035 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz' 2026-02-10T11:43:29,036 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz' 2026-02-10T11:43:29,037 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz' 2026-02-10T11:43:29,039 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz' 2026-02-10T11:43:29,040 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz' 2026-02-10T11:43:29,041 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz' 2026-02-10T11:43:29,042 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz' 2026-02-10T11:43:29,043 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz' 2026-02-10T11:43:29,045 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz' 2026-02-10T11:43:29,046 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz' 2026-02-10T11:43:29,047 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz' 2026-02-10T11:43:29,048 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz' 2026-02-10T11:43:29,049 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz' 2026-02-10T11:43:29,050 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz' 2026-02-10T11:43:29,051 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz' 2026-02-10T11:43:29,053 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz' 2026-02-10T11:43:29,054 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz' 2026-02-10T11:43:29,055 adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz' 2026-02-10T11:43:29,066 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz' 2026-02-10T11:43:29,067 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz' 2026-02-10T11:43:29,068 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz' 2026-02-10T11:43:29,070 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,071 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz' 2026-02-10T11:43:29,073 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz' 2026-02-10T11:43:29,074 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz' 2026-02-10T11:43:29,075 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz' 2026-02-10T11:43:29,076 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz' 2026-02-10T11:43:29,078 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz' 2026-02-10T11:43:29,079 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,080 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz' 2026-02-10T11:43:29,082 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz' 2026-02-10T11:43:29,083 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz' 2026-02-10T11:43:29,084 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz' 2026-02-10T11:43:29,085 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz' 2026-02-10T11:43:29,086 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,088 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz' 2026-02-10T11:43:29,089 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz' 2026-02-10T11:43:29,090 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,091 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,093 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz' 2026-02-10T11:43:29,094 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz' 2026-02-10T11:43:29,095 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz' 2026-02-10T11:43:29,096 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz' 2026-02-10T11:43:29,098 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz' 2026-02-10T11:43:29,099 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz' 2026-02-10T11:43:29,100 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz' 2026-02-10T11:43:29,101 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz' 2026-02-10T11:43:29,103 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz' 2026-02-10T11:43:29,104 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz' 2026-02-10T11:43:29,105 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,106 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz' 2026-02-10T11:43:29,108 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,109 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,110 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,111 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,113 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,114 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,115 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,116 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,118 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,119 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,120 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,122 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,123 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,124 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,125 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,126 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,128 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,129 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,130 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,131 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,133 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,134 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,135 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,137 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,138 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,140 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,141 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz' 2026-02-10T11:43:29,143 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz' 2026-02-10T11:43:29,144 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz' 2026-02-10T11:43:29,145 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz' 2026-02-10T11:43:29,147 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,148 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,149 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz' 2026-02-10T11:43:29,150 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz' 2026-02-10T11:43:29,152 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz' 2026-02-10T11:43:29,153 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,154 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz' 2026-02-10T11:43:29,156 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz' 2026-02-10T11:43:29,157 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz' 2026-02-10T11:43:29,158 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz' 2026-02-10T11:43:29,159 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz' 2026-02-10T11:43:29,161 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz' 2026-02-10T11:43:29,162 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,163 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,165 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz' 2026-02-10T11:43:29,166 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz' 2026-02-10T11:43:29,167 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz' 2026-02-10T11:43:29,168 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz' 2026-02-10T11:43:29,170 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz' 2026-02-10T11:43:29,171 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,172 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz' 2026-02-10T11:43:29,173 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz' 2026-02-10T11:43:29,175 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,176 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,177 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz' 2026-02-10T11:43:29,178 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz' 2026-02-10T11:43:29,179 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz' 2026-02-10T11:43:29,181 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz' 2026-02-10T11:43:29,182 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz' 2026-02-10T11:43:29,183 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz' 2026-02-10T11:43:29,185 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz' 2026-02-10T11:43:29,186 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz' 2026-02-10T11:43:29,187 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz' 2026-02-10T11:43:29,188 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz' 2026-02-10T11:43:29,190 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,191 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz' 2026-02-10T11:43:29,192 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,194 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,195 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,196 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,198 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,199 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,200 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,201 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,203 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,204 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,205 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,206 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,208 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,210 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,211 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,212 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,214 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,215 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,216 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,218 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,219 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,220 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,221 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,223 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,224 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,225 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,226 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,227 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,229 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,230 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,231 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,233 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,234 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,235 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,237 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,238 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,239 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,240 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,242 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,243 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,245 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,246 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,247 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,248 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,250 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,251 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,252 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,254 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,255 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,256 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,258 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,259 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,260 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,262 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,263 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,264 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,265 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,267 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,268 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,270 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,271 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,272 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,273 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,275 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,276 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,277 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,279 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,280 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,281 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,282 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,284 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,285 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,287 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,288 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,290 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,291 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,292 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,294 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,295 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,297 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,298 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,299 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,301 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,302 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,303 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,305 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,306 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,307 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,309 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,310 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,311 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,313 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,314 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,315 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,317 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,318 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,319 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,321 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,322 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,324 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,325 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,326 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,328 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,329 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,330 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,331 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,332 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,334 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,335 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,336 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,338 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,339 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,341 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,342 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,343 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz' 2026-02-10T11:43:29,345 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz' 2026-02-10T11:43:29,346 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz' 2026-02-10T11:43:29,347 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,349 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,350 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,352 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,353 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,354 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,355 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,357 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,358 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,360 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,361 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,362 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,364 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,365 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,366 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,368 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,369 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,371 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,372 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,373 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,374 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,376 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,377 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,379 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,380 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,381 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,382 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,383 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,385 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz' 2026-02-10T11:43:29,386 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz' 2026-02-10T11:43:29,387 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz' 2026-02-10T11:43:29,389 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz' 2026-02-10T11:43:29,390 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz' 2026-02-10T11:43:29,392 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz' 2026-02-10T11:43:29,393 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz' 2026-02-10T11:43:29,395 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,396 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz' 2026-02-10T11:43:29,397 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz' 2026-02-10T11:43:29,399 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz' 2026-02-10T11:43:29,400 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz' 2026-02-10T11:43:29,401 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz' 2026-02-10T11:43:29,402 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz' 2026-02-10T11:43:29,404 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz' 2026-02-10T11:43:29,405 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,407 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,408 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,410 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,411 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,412 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,414 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,415 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,416 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,418 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,419 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,420 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,421 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,423 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,424 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,425 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,428 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,430 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,431 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,433 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,434 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,435 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,436 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,438 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,439 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,440 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,442 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,443 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,445 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz' 2026-02-10T11:43:29,446 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz' 2026-02-10T11:43:29,448 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz' 2026-02-10T11:43:29,449 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz' 2026-02-10T11:43:29,451 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz' 2026-02-10T11:43:29,452 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz' 2026-02-10T11:43:29,453 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz' 2026-02-10T11:43:29,455 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz' 2026-02-10T11:43:29,456 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,457 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz' 2026-02-10T11:43:29,459 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz' 2026-02-10T11:43:29,460 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz' 2026-02-10T11:43:29,461 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz' 2026-02-10T11:43:29,463 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz' 2026-02-10T11:43:29,464 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz' 2026-02-10T11:43:29,465 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz' 2026-02-10T11:43:29,467 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz' 2026-02-10T11:43:29,468 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz' 2026-02-10T11:43:29,470 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz' 2026-02-10T11:43:29,471 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,472 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz' 2026-02-10T11:43:29,474 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz' 2026-02-10T11:43:29,475 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz' 2026-02-10T11:43:29,476 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz' 2026-02-10T11:43:29,478 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz' 2026-02-10T11:43:29,479 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz' 2026-02-10T11:43:29,480 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz' 2026-02-10T11:43:29,482 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz' 2026-02-10T11:43:29,483 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz' 2026-02-10T11:43:29,484 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz' 2026-02-10T11:43:29,486 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,487 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz' 2026-02-10T11:43:29,488 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz' 2026-02-10T11:43:29,490 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz' 2026-02-10T11:43:29,491 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz' 2026-02-10T11:43:29,492 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,493 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,495 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,496 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,497 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,499 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,500 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,502 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,503 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,504 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,506 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,507 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,508 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,509 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,511 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,512 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,513 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,514 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,516 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,517 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,519 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,520 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,521 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,523 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,524 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,525 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,527 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,528 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz' 2026-02-10T11:43:29,529 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,531 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz' 2026-02-10T11:43:29,532 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz' 2026-02-10T11:43:29,533 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz' 2026-02-10T11:43:29,535 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz' 2026-02-10T11:43:29,536 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz' 2026-02-10T11:43:29,538 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz' 2026-02-10T11:43:29,539 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz' 2026-02-10T11:43:29,540 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz' 2026-02-10T11:43:29,542 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,543 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,544 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,546 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,547 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,549 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,550 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,551 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,552 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,554 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,555 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,556 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,557 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,559 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,560 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,562 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,563 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,564 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,566 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,567 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,568 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz' 2026-02-10T11:43:29,570 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz' 2026-02-10T11:43:29,571 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz' 2026-02-10T11:43:29,572 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz' 2026-02-10T11:43:29,574 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,575 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,576 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz' 2026-02-10T11:43:29,578 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,580 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,581 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz' 2026-02-10T11:43:29,582 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,584 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,586 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,587 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,588 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,590 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz' 2026-02-10T11:43:29,591 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,593 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,594 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,595 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,597 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,598 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,600 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,601 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,602 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,604 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,605 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,607 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,608 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,610 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz' 2026-02-10T11:43:29,611 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz' 2026-02-10T11:43:29,613 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz' 2026-02-10T11:43:29,614 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz' 2026-02-10T11:43:29,615 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,617 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz' 2026-02-10T11:43:29,618 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz' 2026-02-10T11:43:29,620 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz' 2026-02-10T11:43:29,621 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz' 2026-02-10T11:43:29,623 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,624 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz' 2026-02-10T11:43:29,626 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz' 2026-02-10T11:43:29,627 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz' 2026-02-10T11:43:29,629 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz' 2026-02-10T11:43:29,630 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz' 2026-02-10T11:43:29,632 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz' 2026-02-10T11:43:29,633 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,634 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz' 2026-02-10T11:43:29,636 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz' 2026-02-10T11:43:29,637 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz' 2026-02-10T11:43:29,639 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz' 2026-02-10T11:43:29,640 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz' 2026-02-10T11:43:29,642 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz' 2026-02-10T11:43:29,643 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz' 2026-02-10T11:43:29,644 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz' 2026-02-10T11:43:29,646 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz' 2026-02-10T11:43:29,647 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz' 2026-02-10T11:43:29,649 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz' 2026-02-10T11:43:29,650 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,651 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,653 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz' 2026-02-10T11:43:29,654 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,655 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,657 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,658 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,659 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,661 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,662 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,663 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,665 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,666 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,668 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz' 2026-02-10T11:43:29,669 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,671 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,672 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,673 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz' 2026-02-10T11:43:29,675 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz' 2026-02-10T11:43:29,676 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,677 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,679 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,680 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,681 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,683 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz' 2026-02-10T11:43:29,684 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,685 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,687 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,688 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,690 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,691 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,692 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,694 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz' 2026-02-10T11:43:29,695 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz' 2026-02-10T11:43:29,697 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz' 2026-02-10T11:43:29,698 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz' 2026-02-10T11:43:29,699 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz' 2026-02-10T11:43:29,701 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz' 2026-02-10T11:43:29,702 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz' 2026-02-10T11:43:29,703 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz' 2026-02-10T11:43:29,705 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz' 2026-02-10T11:43:29,706 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz' 2026-02-10T11:43:29,707 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz' 2026-02-10T11:43:29,709 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz' 2026-02-10T11:43:29,710 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz' 2026-02-10T11:43:29,711 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz' 2026-02-10T11:43:29,713 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz' 2026-02-10T11:43:29,714 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz' 2026-02-10T11:43:29,716 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz' 2026-02-10T11:43:29,717 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz' 2026-02-10T11:43:29,719 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz' 2026-02-10T11:43:29,720 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz' 2026-02-10T11:43:29,722 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz' 2026-02-10T11:43:29,723 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz' 2026-02-10T11:43:29,724 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz' 2026-02-10T11:43:29,726 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz' 2026-02-10T11:43:29,727 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz' 2026-02-10T11:43:29,728 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz' 2026-02-10T11:43:29,730 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz' 2026-02-10T11:43:29,731 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz' 2026-02-10T11:43:29,732 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz' 2026-02-10T11:43:29,734 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz' 2026-02-10T11:43:29,735 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz' 2026-02-10T11:43:29,737 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz' 2026-02-10T11:43:29,738 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz' 2026-02-10T11:43:29,739 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz' 2026-02-10T11:43:29,741 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz' 2026-02-10T11:43:29,742 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz' 2026-02-10T11:43:29,744 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz' 2026-02-10T11:43:29,745 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz' 2026-02-10T11:43:29,746 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,748 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz' 2026-02-10T11:43:29,749 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz' 2026-02-10T11:43:29,750 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz' 2026-02-10T11:43:29,752 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz' 2026-02-10T11:43:29,753 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz' 2026-02-10T11:43:29,755 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz' 2026-02-10T11:43:29,756 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz' 2026-02-10T11:43:29,758 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz' 2026-02-10T11:43:29,759 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz' 2026-02-10T11:43:29,760 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz' 2026-02-10T11:43:29,761 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz' 2026-02-10T11:43:29,763 adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz' 2026-02-10T11:43:29,764 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz' 2026-02-10T11:43:29,766 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz' 2026-02-10T11:43:29,767 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz' 2026-02-10T11:43:29,769 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz' 2026-02-10T11:43:29,770 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz' 2026-02-10T11:43:29,772 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz' 2026-02-10T11:43:29,773 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz' 2026-02-10T11:43:29,775 adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz' 2026-02-10T11:43:29,789 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz' 2026-02-10T11:43:29,791 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz' 2026-02-10T11:43:29,792 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz' 2026-02-10T11:43:29,794 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz' 2026-02-10T11:43:29,795 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz' 2026-02-10T11:43:29,797 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz' 2026-02-10T11:43:29,799 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz' 2026-02-10T11:43:29,800 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz' 2026-02-10T11:43:29,802 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz' 2026-02-10T11:43:29,803 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz' 2026-02-10T11:43:29,805 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz' 2026-02-10T11:43:29,806 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz' 2026-02-10T11:43:29,807 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz' 2026-02-10T11:43:29,809 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz' 2026-02-10T11:43:29,810 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz' 2026-02-10T11:43:29,812 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz' 2026-02-10T11:43:29,814 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz' 2026-02-10T11:43:29,816 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz' 2026-02-10T11:43:29,818 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz' 2026-02-10T11:43:29,819 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz' 2026-02-10T11:43:29,821 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz' 2026-02-10T11:43:29,823 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:29,825 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:29,827 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:29,829 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:29,830 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:29,832 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:29,833 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:29,835 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:29,836 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:29,838 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:29,839 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:29,841 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:29,842 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:29,844 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:29,846 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz' 2026-02-10T11:43:29,847 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz' 2026-02-10T11:43:29,849 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz' 2026-02-10T11:43:29,851 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz' 2026-02-10T11:43:29,852 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz' 2026-02-10T11:43:29,854 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz' 2026-02-10T11:43:29,855 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz' 2026-02-10T11:43:29,857 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:29,859 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:29,862 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:29,864 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:29,865 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:29,867 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:29,868 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:29,870 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:29,871 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:29,872 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:29,873 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:29,875 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:29,876 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:29,877 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:29,879 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz' 2026-02-10T11:43:29,880 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz' 2026-02-10T11:43:29,881 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz' 2026-02-10T11:43:29,883 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz' 2026-02-10T11:43:29,884 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz' 2026-02-10T11:43:29,885 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz' 2026-02-10T11:43:29,887 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz' 2026-02-10T11:43:29,888 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:29,890 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:29,891 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:29,892 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:29,894 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:29,895 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:29,896 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:29,898 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:29,899 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:29,900 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:29,902 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:29,903 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:29,905 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:29,906 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:29,907 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz' 2026-02-10T11:43:29,909 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz' 2026-02-10T11:43:29,910 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz' 2026-02-10T11:43:29,911 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz' 2026-02-10T11:43:29,913 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz' 2026-02-10T11:43:29,914 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz' 2026-02-10T11:43:29,915 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz' 2026-02-10T11:43:29,916 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:29,918 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:29,920 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:29,921 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:29,922 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:29,924 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:29,925 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:29,927 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:29,928 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:29,930 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:29,931 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:29,933 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:29,934 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:29,935 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:29,937 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz' 2026-02-10T11:43:29,938 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz' 2026-02-10T11:43:29,940 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz' 2026-02-10T11:43:29,941 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz' 2026-02-10T11:43:29,942 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz' 2026-02-10T11:43:29,944 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz' 2026-02-10T11:43:29,945 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz' 2026-02-10T11:43:29,947 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:29,948 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:29,949 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:29,950 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:29,952 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:29,953 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:29,954 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:29,956 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:29,957 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:29,958 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:29,960 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:29,961 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:29,962 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:29,964 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:29,965 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:29,966 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:29,968 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:29,969 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz' 2026-02-10T11:43:29,970 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz' 2026-02-10T11:43:29,972 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz' 2026-02-10T11:43:29,973 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz' 2026-02-10T11:43:29,974 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:29,975 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:29,976 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:29,978 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:29,979 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:29,980 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:29,982 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:29,983 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:29,984 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:29,986 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:29,987 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:29,988 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:29,990 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:29,991 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:29,992 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:29,993 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:29,995 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:29,996 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz' 2026-02-10T11:43:29,997 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz' 2026-02-10T11:43:29,998 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz' 2026-02-10T11:43:30,000 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz' 2026-02-10T11:43:30,001 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:30,002 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:30,003 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:30,004 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:30,005 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:30,007 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:30,008 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:30,010 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:30,011 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:30,012 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:30,013 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:30,015 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:30,016 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:30,017 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:30,018 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz' 2026-02-10T11:43:30,020 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz' 2026-02-10T11:43:30,021 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz' 2026-02-10T11:43:30,022 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz' 2026-02-10T11:43:30,023 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz' 2026-02-10T11:43:30,025 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz' 2026-02-10T11:43:30,026 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz' 2026-02-10T11:43:30,027 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:30,029 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:30,030 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:30,031 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:30,032 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:30,034 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:30,035 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:30,036 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:30,037 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:30,039 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:30,040 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:30,041 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:30,042 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:30,044 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:30,045 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:30,046 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:30,047 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:30,048 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz' 2026-02-10T11:43:30,049 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz' 2026-02-10T11:43:30,051 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz' 2026-02-10T11:43:30,052 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz' 2026-02-10T11:43:30,053 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,054 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,055 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,056 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:30,058 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:30,059 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:30,060 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:30,061 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,063 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,064 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,065 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:30,066 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:30,067 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:30,069 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:30,070 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,071 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,073 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,074 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz' 2026-02-10T11:43:30,075 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz' 2026-02-10T11:43:30,077 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz' 2026-02-10T11:43:30,078 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz' 2026-02-10T11:43:30,079 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,081 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,082 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,084 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:30,085 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:30,087 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:30,089 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:30,090 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,092 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,093 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,095 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:30,096 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:30,098 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:30,099 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:30,101 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,103 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,104 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,106 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz' 2026-02-10T11:43:30,107 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz' 2026-02-10T11:43:30,109 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz' 2026-02-10T11:43:30,111 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz' 2026-02-10T11:43:30,112 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,114 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,115 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,117 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:30,118 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:30,120 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:30,122 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:30,124 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,126 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,127 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,129 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:30,131 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:30,132 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:30,134 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:30,136 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz' 2026-02-10T11:43:30,140 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz' 2026-02-10T11:43:30,142 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz' 2026-02-10T11:43:30,144 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz' 2026-02-10T11:43:30,145 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz' 2026-02-10T11:43:30,147 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz' 2026-02-10T11:43:30,148 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz' 2026-02-10T11:43:30,150 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:30,151 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:30,153 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:30,154 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz' 2026-02-10T11:43:30,156 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz' 2026-02-10T11:43:30,157 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz' 2026-02-10T11:43:30,159 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz' 2026-02-10T11:43:30,160 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:30,162 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:30,163 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:30,165 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz' 2026-02-10T11:43:30,166 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz' 2026-02-10T11:43:30,167 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz' 2026-02-10T11:43:30,168 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz' 2026-02-10T11:43:30,170 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz' 2026-02-10T11:43:30,171 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz' 2026-02-10T11:43:30,172 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz' 2026-02-10T11:43:30,173 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz' 2026-02-10T11:43:30,175 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz' 2026-02-10T11:43:30,176 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz' 2026-02-10T11:43:30,177 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz' 2026-02-10T11:43:30,178 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:30,180 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:30,181 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:30,182 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:30,184 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:30,185 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:30,186 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:30,188 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:30,189 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:30,190 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:30,192 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:30,193 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:30,194 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:30,196 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:30,197 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz' 2026-02-10T11:43:30,198 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz' 2026-02-10T11:43:30,199 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz' 2026-02-10T11:43:30,201 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz' 2026-02-10T11:43:30,202 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz' 2026-02-10T11:43:30,203 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz' 2026-02-10T11:43:30,204 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz' 2026-02-10T11:43:30,206 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:30,207 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:30,209 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:30,210 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:30,211 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:30,212 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:30,214 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:30,215 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:30,216 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:30,217 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:30,219 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:30,220 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:30,221 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:30,223 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:30,224 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz' 2026-02-10T11:43:30,225 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz' 2026-02-10T11:43:30,227 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz' 2026-02-10T11:43:30,228 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz' 2026-02-10T11:43:30,230 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz' 2026-02-10T11:43:30,231 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz' 2026-02-10T11:43:30,232 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz' 2026-02-10T11:43:30,234 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:30,235 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:30,237 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:30,238 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:30,239 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:30,241 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:30,242 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:30,244 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:30,245 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:30,246 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:30,248 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:30,249 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:30,251 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:30,252 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:30,253 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz' 2026-02-10T11:43:30,255 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz' 2026-02-10T11:43:30,256 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz' 2026-02-10T11:43:30,257 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz' 2026-02-10T11:43:30,259 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz' 2026-02-10T11:43:30,260 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz' 2026-02-10T11:43:30,262 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz' 2026-02-10T11:43:30,263 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:30,265 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:30,266 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:30,268 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:30,269 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:30,270 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:30,272 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:30,273 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:30,274 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:30,276 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:30,277 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:30,279 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:30,280 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:30,281 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:30,283 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz' 2026-02-10T11:43:30,284 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz' 2026-02-10T11:43:30,286 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz' 2026-02-10T11:43:30,287 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz' 2026-02-10T11:43:30,288 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz' 2026-02-10T11:43:30,290 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz' 2026-02-10T11:43:30,291 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz' 2026-02-10T11:43:30,292 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:30,294 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:30,295 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:30,296 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:30,297 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:30,299 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:30,300 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:30,302 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:30,303 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:30,304 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:30,306 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:30,307 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:30,309 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:30,310 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:30,312 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz' 2026-02-10T11:43:30,313 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz' 2026-02-10T11:43:30,315 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz' 2026-02-10T11:43:30,316 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz' 2026-02-10T11:43:30,317 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz' 2026-02-10T11:43:30,318 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz' 2026-02-10T11:43:30,320 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz' 2026-02-10T11:43:30,321 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:30,323 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:30,324 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:30,325 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz' 2026-02-10T11:43:30,327 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz' 2026-02-10T11:43:30,328 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz' 2026-02-10T11:43:30,329 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz' 2026-02-10T11:43:30,331 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:30,332 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:30,333 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:30,335 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz' 2026-02-10T11:43:30,336 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz' 2026-02-10T11:43:30,337 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz' 2026-02-10T11:43:30,339 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz' 2026-02-10T11:43:30,340 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz' 2026-02-10T11:43:30,341 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz' 2026-02-10T11:43:30,343 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz' 2026-02-10T11:43:30,344 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz' 2026-02-10T11:43:30,345 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz' 2026-02-10T11:43:30,347 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz' 2026-02-10T11:43:30,348 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz' 2026-02-10T11:43:30,349 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:30,351 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:30,352 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:30,353 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:30,355 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:30,356 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:30,358 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:30,359 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:30,360 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:30,362 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:30,363 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:30,365 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:30,366 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:30,367 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:30,369 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz' 2026-02-10T11:43:30,370 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz' 2026-02-10T11:43:30,371 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz' 2026-02-10T11:43:30,373 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz' 2026-02-10T11:43:30,374 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz' 2026-02-10T11:43:30,375 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz' 2026-02-10T11:43:30,377 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz' 2026-02-10T11:43:30,378 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:30,379 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:30,380 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:30,382 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:30,383 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:30,384 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:30,386 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:30,387 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:30,389 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:30,390 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:30,391 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:30,392 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:30,394 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:30,395 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:30,396 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz' 2026-02-10T11:43:30,398 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz' 2026-02-10T11:43:30,399 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz' 2026-02-10T11:43:30,400 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz' 2026-02-10T11:43:30,402 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz' 2026-02-10T11:43:30,403 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz' 2026-02-10T11:43:30,405 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz' 2026-02-10T11:43:30,406 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:30,408 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:30,409 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:30,410 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz' 2026-02-10T11:43:30,411 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz' 2026-02-10T11:43:30,413 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz' 2026-02-10T11:43:30,414 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz' 2026-02-10T11:43:30,415 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:30,417 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:30,418 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:30,419 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz' 2026-02-10T11:43:30,421 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz' 2026-02-10T11:43:30,422 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz' 2026-02-10T11:43:30,423 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz' 2026-02-10T11:43:30,424 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz' 2026-02-10T11:43:30,426 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz' 2026-02-10T11:43:30,427 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz' 2026-02-10T11:43:30,428 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz' 2026-02-10T11:43:30,429 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz' 2026-02-10T11:43:30,430 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz' 2026-02-10T11:43:30,431 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz' 2026-02-10T11:43:30,433 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:30,434 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:30,435 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:30,436 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:30,437 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:30,438 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:30,440 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:30,441 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:30,442 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:30,443 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:30,445 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:30,446 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:30,447 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:30,449 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:30,450 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz' 2026-02-10T11:43:30,451 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz' 2026-02-10T11:43:30,452 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz' 2026-02-10T11:43:30,453 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz' 2026-02-10T11:43:30,455 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz' 2026-02-10T11:43:30,456 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz' 2026-02-10T11:43:30,457 adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz' 2026-02-10T11:43:30,460 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat' 2026-02-10T11:43:30,463 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat' 2026-02-10T11:43:30,465 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat' 2026-02-10T11:43:30,468 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat' 2026-02-10T11:43:30,469 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat' 2026-02-10T11:43:30,471 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat' 2026-02-10T11:43:30,472 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat' 2026-02-10T11:43:30,473 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat' 2026-02-10T11:43:30,475 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat' 2026-02-10T11:43:30,476 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat' 2026-02-10T11:43:30,477 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat' 2026-02-10T11:43:30,479 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat' 2026-02-10T11:43:30,480 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat' 2026-02-10T11:43:30,481 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat' 2026-02-10T11:43:30,483 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat' 2026-02-10T11:43:30,484 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat' 2026-02-10T11:43:30,485 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat' 2026-02-10T11:43:30,488 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat' 2026-02-10T11:43:30,489 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat' 2026-02-10T11:43:30,491 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat' 2026-02-10T11:43:30,492 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat' 2026-02-10T11:43:30,493 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat' 2026-02-10T11:43:30,494 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat' 2026-02-10T11:43:30,496 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat' 2026-02-10T11:43:30,497 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat' 2026-02-10T11:43:30,499 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat' 2026-02-10T11:43:30,500 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat' 2026-02-10T11:43:30,501 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat' 2026-02-10T11:43:30,502 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat' 2026-02-10T11:43:30,504 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat' 2026-02-10T11:43:30,505 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat' 2026-02-10T11:43:30,506 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat' 2026-02-10T11:43:30,507 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat' 2026-02-10T11:43:30,509 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat' 2026-02-10T11:43:30,510 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat' 2026-02-10T11:43:30,512 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat' 2026-02-10T11:43:30,513 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat' 2026-02-10T11:43:30,514 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat' 2026-02-10T11:43:30,521 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat' 2026-02-10T11:43:30,523 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat' 2026-02-10T11:43:30,524 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat' 2026-02-10T11:43:30,525 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat' 2026-02-10T11:43:30,527 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat' 2026-02-10T11:43:30,529 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat' 2026-02-10T11:43:30,530 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat' 2026-02-10T11:43:30,531 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat' 2026-02-10T11:43:30,533 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat' 2026-02-10T11:43:30,534 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat' 2026-02-10T11:43:30,536 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat' 2026-02-10T11:43:30,537 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat' 2026-02-10T11:43:30,539 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat' 2026-02-10T11:43:30,542 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat' 2026-02-10T11:43:30,543 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat' 2026-02-10T11:43:30,544 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat' 2026-02-10T11:43:30,546 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat' 2026-02-10T11:43:30,547 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat' 2026-02-10T11:43:30,549 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat' 2026-02-10T11:43:30,550 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat' 2026-02-10T11:43:30,551 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat' 2026-02-10T11:43:30,553 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat' 2026-02-10T11:43:30,558 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat' 2026-02-10T11:43:30,560 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat' 2026-02-10T11:43:30,566 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat' 2026-02-10T11:43:30,568 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat' 2026-02-10T11:43:30,569 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat' 2026-02-10T11:43:30,570 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat' 2026-02-10T11:43:30,571 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat' 2026-02-10T11:43:30,573 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat' 2026-02-10T11:43:30,574 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat' 2026-02-10T11:43:30,575 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat' 2026-02-10T11:43:30,577 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat' 2026-02-10T11:43:30,578 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat' 2026-02-10T11:43:30,580 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat' 2026-02-10T11:43:30,581 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat' 2026-02-10T11:43:30,582 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat' 2026-02-10T11:43:30,584 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat' 2026-02-10T11:43:30,585 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat' 2026-02-10T11:43:30,590 adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat' 2026-02-10T11:43:30,593 adding 'xcbm-0.1.8.dist-info/licenses/LICENSE' 2026-02-10T11:43:30,594 adding 'xcbm-0.1.8.dist-info/METADATA' 2026-02-10T11:43:30,596 adding 'xcbm-0.1.8.dist-info/WHEEL' 2026-02-10T11:43:30,597 adding 'xcbm-0.1.8.dist-info/top_level.txt' 2026-02-10T11:43:30,902 adding 'xcbm-0.1.8.dist-info/RECORD' 2026-02-10T11:43:31,204 removing build/bdist.linux-armv7l/wheel 2026-02-10T11:43:43,043 Building wheel for xcbm (pyproject.toml): finished with status 'done' 2026-02-10T11:43:43,274 Created wheel for xcbm: filename=xcbm-0.1.8-py3-none-any.whl size=8809033 sha256=49e870fe3234ca61977c5237aeca0cd5459bfe75f524a9b6a9f958e7dec191c2 2026-02-10T11:43:43,275 Stored in directory: /tmp/pip-ephem-wheel-cache-b6mf9dsh/wheels/59/cd/96/11bbfe42d0162e46a2255a9152c442344035cdfd43fa22b8af 2026-02-10T11:43:43,887 Successfully built xcbm 2026-02-10T11:43:44,192 Removed build tracker: '/tmp/pip-build-tracker-d4yyymx_'